SMIRKS
[C:49]([C:50]([C:51](=[C:52]([C:53]([C:54](=[C:55]([C:56]([C:57](=[C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66](=[O:67])[O:68][C@:69]([C:70]([O:71][C:72](=[O:73])[C:74]([C:75]([C:76]([C:77]([C:78]([C:79]([C:80]([C:81](=[C:82]([C:83]([C:84]([C:85]([C:86]([C:87]([C:88]([C:89]([C:90]([H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])[H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([C:91]([O:92][P:93](=[O:94])([O:95][H:174])[O:96][C:97]([C:98]([N+:99]([C:100]([H:175])([H:176])[H:177])([C:101]([H:178])([H:179])[H:180])[C:102]([H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])[H:205])[H:206])([H:207])[H:208])[H:209])[H:210])([H:211])[H:212])[H:213])[H:214])([H:215])[H:216])([H:217])([H:218])[H:219]>>[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:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58](=[C:57]([C:56]([C:55](=[C:54]([C:53]([C:52](=[C:51]([C:50]([C:49]([H:217])([H:218])[H:219])([H:215])[H:216])[H:214])[H:213])([H:211])[H:212])[H:210])[H:209])([H:207])[H:208])[H:206])[H:205])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])=[O:67])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:68][C@:69]([C:70]([O:71][C:72](=[O:73])[C:74]([C:75]([C:76]([C:77]([C:78]([C:79]([C:80]([C:81](=[C:82]([C:83]([C:84]([C:85]([C:86]([C:87]([C:88]([C:89]([C:90]([H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])[H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([C:91]([O:92][P:93](=[O:94])([O:95][H:174])[O:96][C:97]([C:98]([N+:99]([C:100]([H:175])([H:176])[H:177])([C:101]([H:178])([H:179])[H:180])[C:102]([H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])[H:190]
Derived Operators
EVODEX.1-F117 - Elemental Balance
| P | 3 |
| O | 16 |
| C | 21 |
| S | 1 |
| N | 7 |
| H | 36 |
EVODEX.1-M20 - Mass Difference
767.1154799999999
EVODEX.1-E739 - Reaction Operator E
[#6:63]-[#6:64](=[#8:65])-[#8:66]-[#6:67]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:64](-[#6:63])=[#8:65])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:66](-[#6:67])-[H]
EVODEX.1-C111 - Reaction Operator C
[#6:2]-[#8:4]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:2])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:4]
EVODEX.1-N48 - Reaction Operator N
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:2](-[#6:1])=[#8:3])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:4]-[#6:5]
EVODEX.1-Em432 - Reaction Operator Em
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6]-[#16]-[#6:2](-[#6:1])=[#8:3].[H]-[#8:4]-[#6:5]
EVODEX.1-Nm126 - Reaction Operator Nm
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6]-[#16]-[#6:2](-[#6:1])=[#8:3].[H]-[#8:4]-[#6:5]
Source Full Reactions
EVODEX.1-R2254
[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:136])([H:137])[H:138])([C:3]([H:103])([H:104])[H:105])[C:4]([O:5][P:6](=[O:7])([O:8][H:106])[O:9][P:10](=[O:11])([O:12][H:107])[O:13][C:14]([C@@:15]1([H:108])[O:16][C@:17]([N:18]2:[C:19]([H:109]):[N:20]:[C:21]3:[C:22]([N:23]([H:110])[H:111]):[N:24]:[C:25]([H:112]):[N:26]:[C:27]:2:3)([H:113])[C@@:28]([O:29][H:114])([H:115])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:116])[O:35][H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([O:37][H:123])[H:135])=[O:39])[H:134])([H:132])[H:133])([H:130])[H:131])=[O:44])[H:129])([H:127])[H:128])([H:125])[H:126].[C:49]([C:50]([C:51](=[C:52]([C:53]([C:54](=[C:55]([C:56]([C:57](=[C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66](=[O:67])[O:68][C@:69]([C:70]([O:71][C:72](=[O:73])[C:74]([C:75]([C:76]([C:77]([C:78]([C:79]([C:80]([C:81](=[C:82]([C:83]([C:84]([C:85]([C:86]([C:87]([C:88]([C:89]([C:90]([H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])[H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([C:91]([O:92][P:93](=[O:94])([O:95][H:174])[O:96][C:97]([C:98]([N+:99]([C:100]([H:175])([H:176])[H:177])([C:101]([H:178])([H:179])[H:180])[C:102]([H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])[H:205])[H:206])([H:207])[H:208])[H:209])[H:210])([H:211])[H:212])[H:213])[H:214])([H:215])[H:216])([H:217])([H:218])[H:219]>>[C:1]([C:2]([C:3]([H:103])([H:104])[H:105])([C:4]([O:5][P:6](=[O:7])([O:8][H:106])[O:9][P:10](=[O:11])([O:12][H:107])[O:13][C:14]([C@@:15]1([H:108])[O:16][C@:17]([N:18]2:[C:19]([H:109]):[N:20]:[C:21]3:[C:22]([N:23]([H:110])[H:111]):[N:24]:[C:25]([H:112]):[N:26]:[C:27]:2:3)([H:113])[C@@:28]([O:29][H:114])([H:115])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:116])[O:35][H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[C@@:36]([O:37][H:123])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58](=[C:57]([C:56]([C:55](=[C:54]([C:53]([C:52](=[C:51]([C:50]([C:49]([H:217])([H:218])[H:219])([H:215])[H:216])[H:214])[H:213])([H:211])[H:212])[H:210])[H:209])([H:207])[H:208])[H:206])[H:205])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])=[O:67])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133])[H:134])[H:135])([H:136])([H:137])[H:138].[H][O:68][C@:69]([C:70]([O:71][C:72](=[O:73])[C:74]([C:75]([C:76]([C:77]([C:78]([C:79]([C:80]([C:81](=[C:82]([C:83]([C:84]([C:85]([C:86]([C:87]([C:88]([C:89]([C:90]([H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])[H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([C:91]([O:92][P:93](=[O:94])([O:95][H:174])[O:96][C:97]([C:98]([N+:99]([C:100]([H:175])([H:176])[H:177])([C:101]([H:178])([H:179])[H:180])[C:102]([H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])[H:190]