EVODEX.1-Em73

SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:71]-[#15:72].[H]-[#8]-[#6:81](=[#8:80])-[#6:83]>>[#6]-[#16]-[#6:81](=[#8:80])-[#6:83].[H]-[#8:71]-[#15:72]

Source Partial Reactions

EVODEX.1-P6616

[H]O[C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])=[O:55].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])=[O:55])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142]

EVODEX.1-P6668

[H]O[C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:140])([H:141])[H:142])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])=[O:57].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:79][P:80](=[O:81])([O:82][H:147])[O:83][H:148]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:140])([H:141])[H:142])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:79][P:80](=[O:81])([O:82][H:147])[O:83][H:148]

EVODEX.1-P6754

[H]O[C:53]([C:52]([C:51]([C:50]([C:49]([H:130])([H:131])[H:132])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])=[O:54].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:78][P:79](=[O:80])([O:81][H:138])[O:82][H:139]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:53]([C:52]([C:51]([C:50]([C:49]([H:130])([H:131])[H:132])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])=[O:54])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:78][P:79](=[O:80])([O:81][H:138])[O:82][H:139]

EVODEX.1-P6765

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:67][P:68](=[O:69])([O:70][H:128])[O:71][P:72](=[O:73])([O:74][H:129])[O:75][H:130].[H]O[C:81](=[O:80])[C:83]([C:84](=[O:85])[C:86]([S:87][H:141])([H:142])[H:143])([H:144])[H:145]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83]([C:84](=[O:85])[C:86]([S:87][H:141])([H:142])[H:143])([H:144])[H:145])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:67][P:68](=[O:69])([O:70][H:128])[O:71][P:72](=[O:73])([O:74][H:129])[O:75][H:130]

EVODEX.1-P6767

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:67][P:68](=[O:69])([O:70][H:130])[O:71][P:72](=[O:73])([O:74][H:131])[O:75][H:132].[H]O[C:81](=[O:80])[C:83]([C:84]1:[C:85]([H:143]):[C:86]([H:144]):[C:87]([H:145]):[C:88]([H:146]):[C:89]:1[H:147])([H:148])[H:149]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83]([C:84]2:[C:85]([H:143]):[C:86]([H:144]):[C:87]([H:145]):[C:88]([H:146]):[C:89]:2[H:147])([H:148])[H:149])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:67][P:68](=[O:69])([O:70][H:130])[O:71][P:72](=[O:73])([O:74][H:131])[O:75][H:132]

EVODEX.1-P6813

[H]O[C:67]([C:65]([C:64]([C:63]([C:62]([C:60]([C:59]([C:58]([C:57]([C:55]([C:54]([C:53]([C:52]([C:50]([C:49]([H:172])([H:173])[H:174])([C:51]([H:137])([H:138])[H:139])[H:171])([H:169])[H:170])([H:167])[H:168])([H:165])[H:166])([C:56]([H:140])([H:141])[H:142])[H:164])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([C:61]([H:143])([H:144])[H:145])[H:157])([H:155])[H:156])([H:153])[H:154])([H:151])[H:152])([C:66]([H:146])([H:147])[H:148])[H:150])=[O:68].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:88][P:89](=[O:90])([O:91][H:179])[O:92][P:93](=[O:94])([O:95][H:180])[O:96][H:181]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:67]([C:65]([C:64]([C:63]([C:62]([C:60]([C:59]([C:58]([C:57]([C:55]([C:54]([C:53]([C:52]([C:50]([C:49]([H:172])([H:173])[H:174])([C:51]([H:137])([H:138])[H:139])[H:171])([H:169])[H:170])([H:167])[H:168])([H:165])[H:166])([C:56]([H:140])([H:141])[H:142])[H:164])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([C:61]([H:143])([H:144])[H:145])[H:157])([H:155])[H:156])([H:153])[H:154])([H:151])[H:152])([C:66]([H:146])([H:147])[H:148])[H:150])=[O:68])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:88][P:89](=[O:90])([O:91][H:179])[O:92][P:93](=[O:94])([O:95][H:180])[O:96][H:181]

EVODEX.1-P6824

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:69][P:70](=[O:71])([O:72][H:129])[O:73][H:130].[H]O[C:82](=[O:81])[C:84]([C:85]([C:86](=[O:87])[O:88][H:142])([H:143])[H:144])([H:145])[H:146]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:82](=[O:81])[C:84]([C:85]([C:86](=[O:87])[O:88][H:142])([H:143])[H:144])([H:145])[H:146])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:69][P:70](=[O:71])([O:72][H:129])[O:73][H:130]

EVODEX.1-P6833

[H]O[C:4]([C:3]([C:2](=[C:1]([H:94])[H:95])[C:7](=[O:8])[O:9][H:93])([H:91])[H:92])=[O:5].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:78][P:79](=[O:80])([O:81][H:136])[O:82][H:137]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:4]([C:3]([C:2](=[C:1]([H:94])[H:95])[C:7](=[O:8])[O:9][H:93])([H:91])[H:92])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:78][P:79](=[O:80])([O:81][H:136])[O:82][H:137]

EVODEX.1-P6838

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:69][P:70](=[O:71])([O:72][H:130])[O:73][H:131].[H]O[C:82](=[O:81])[C:84]([C@:85]([O:86][H:143])([C:87](=[O:88])[O:89][H:144])[H:145])([H:146])[H:147]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:82](=[O:81])[C:84]([C@:85]([O:86][H:143])([C:87](=[O:88])[O:89][H:144])[H:145])([H:146])[H:147])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:69][P:70](=[O:71])([O:72][H:130])[O:73][H:131]

EVODEX.1-P6858

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:71][P:72](=[O:73])([O:74][H:129])[O:75][H:130].[H]O[C:81](=[O:80])[C:83]([C:84]([S:85](=[O:86])[O:87][H:141])([H:142])[H:143])([H:144])[H:145]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83]([C:84]([S:85](=[O:86])[O:87][H:141])([H:142])[H:143])([H:144])[H:145])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:71][P:72](=[O:73])([O:74][H:129])[O:75][H:130]

EVODEX.1-P6861

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:71][P:72](=[O:73])([O:74][H:130])[O:75][H:131].[H]O[C:86]([C@@:84]([C:83]([C:81](=[O:80])[O:82][H:141])([H:145])[H:146])([O:85][H:142])[H:144])=[O:87]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:86]([C@@:84]([C:83]([C:81](=[O:80])[O:82][H:141])([H:145])[H:146])([O:85][H:142])[H:144])=[O:87])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:71][P:72](=[O:73])([O:74][H:130])[O:75][H:131]

EVODEX.1-P6872

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:69][P:70](=[O:71])([O:72][H:130])[O:73][H:131].[H]O[C:82](=[O:81])[C:84]([C:85]([C:86]([C:87](=[O:88])[O:89][H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:82](=[O:81])[C:84]([C:85]([C:86]([C:87](=[O:88])[O:89][H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:69][P:70](=[O:71])([O:72][H:130])[O:73][H:131]

EVODEX.1-P6877

[H]O[C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([O:6][C:4]([C:3](=[C:2]([C:1]([H:156])([H:157])[H:158])[C:18]([C@:19]1([H:133])[O:20][C:21]([H:134])([H:135])[C@@:22]([C:23]([C@@:24]2([H:136])[O:25][C@:26]2([C@@:27]([C:28]([H:137])([H:138])[H:139])([C@:29]([C:30]([H:140])([H:141])[H:142])([O:31][H:143])[H:144])[H:145])[H:146])([H:147])[H:148])([H:149])[C@:32]([O:33][H:150])([H:151])[C@:34]1([O:35][H:152])[H:153])([H:154])[H:155])[H:132])=[O:5])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])=[O:16].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:102][P:103](=[O:104])([O:105][H:199])[O:106][P:107](=[O:108])([O:109][H:200])[O:110][H:201]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([O:6][C:4]([C:3](=[C:2]([C:1]([H:156])([H:157])[H:158])[C:18]([C@:19]2([H:133])[O:20][C:21]([H:134])([H:135])[C@@:22]([C:23]([C@@:24]3([H:136])[O:25][C@:26]3([C@@:27]([C:28]([H:137])([H:138])[H:139])([C@:29]([C:30]([H:140])([H:141])[H:142])([O:31][H:143])[H:144])[H:145])[H:146])([H:147])[H:148])([H:149])[C@:32]([O:33][H:150])([H:151])[C@:34]2([O:35][H:152])[H:153])([H:154])[H:155])[H:132])=[O:5])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])=[O:16])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:102][P:103](=[O:104])([O:105][H:199])[O:106][P:107](=[O:108])([O:109][H:200])[O:110][H:201]

EVODEX.1-P6880

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:71][P:72](=[O:73])([O:74][H:134])[O:75][H:135].[H]O[C:90]([C:88]([C:84]([C:83]([C:81](=[O:80])[O:82][H:145])([H:151])[H:152])([C:85](=[O:86])[O:87][H:146])[H:150])([O:89][H:147])[H:149])=[O:91]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:90]([C:88]([C:84]([C:83]([C:81](=[O:80])[O:82][H:145])([H:151])[H:152])([C:85](=[O:86])[O:87][H:146])[H:150])([O:89][H:147])[H:149])=[O:91])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:71][P:72](=[O:73])([O:74][H:134])[O:75][H:135]

EVODEX.1-P6886

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:71][P:72](=[O:73])([O:74][H:130])[O:75][H:131].[H]O[C:81](=[O:80])[C:83]([C:84](=[O:85])[C:86](=[O:87])[O:88][H:142])([H:143])[H:144]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83]([C:84](=[O:85])[C:86](=[O:87])[O:88][H:142])([H:143])[H:144])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:71][P:72](=[O:73])([O:74][H:130])[O:75][H:131]