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EVODEX.1-P1818

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C@:22]([C:21]([O:20][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:129])([H:130])[H:131])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])[H:114])[H:113])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])=[O:19])([H:97])[H:98])([C:24]([O:25][P:26](=[O:27])([O:28][H:92])[O:29][H:93])([H:94])[H:95])[H:96].[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:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([H:187])([H:188])[H:189])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])([H:169])[H:170])([H:167])[H:168])=[O:42])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C@@:22]([O:23][C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([H:187])([H:188])[H:189])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])([H:169])[H:170])([H:167])[H:168])=[O:42])([C:24]([O:25][P:26](=[O:27])([O:28][H:92])[O:29][H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])([H:130])[H:131]

Derived Operators

EVODEX.1-F49 - Elemental Balance

P-3
O-16
C-21
S-1
N-7
H-36

EVODEX.1-M7 - Mass Difference

-767.1154799999999

EVODEX.1-E539 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#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])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:52](-[#6:53])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:52]-[#6:53]

EVODEX.1-C961 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:23]-[#6@:22].[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]-[#6:41])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#8:23](-[#6@@:22])-[#6:41]

EVODEX.1-N1201 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:23]-[#6@:22](-[#6:21])(-[#6:24])-[H:96].[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]-[#6:41](-[#6:40])=[#8:42])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[#6:21]-[#6@@:22](-[#8:23]-[#6:41](-[#6:40])=[#8:42])(-[#6:24])-[H:96]

EVODEX.1-Em48 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]

EVODEX.1-Cm33 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16]-[#6:49].[H]-[#8:61]>>[#6:49]-[#8:61]

EVODEX.1-Nm40 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]

Source Full Reactions

EVODEX.1-R2469

Full Reaction Rendering

[H][O:23][C@:22]([C:21]([O:20][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:129])([H:130])[H:131])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])[H:114])[H:113])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])=[O:19])([H:97])[H:98])([C:24]([O:25][P:26](=[O:27])([O:28][H:92])[O:29][H:93])([H:94])[H:95])[H:96].[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41](=[O:42])[S:43][C:44]([C:45]([N:46]([C:47](=[O:48])[C:49]([C:50]([N:51]([C:52](=[O:53])[C@:54]([O:55][H:132])([C:56]([C:57]([H:133])([H:134])[H:135])([C:58]([H:136])([H:137])[H:138])[C:59]([O:60][P:61](=[O:62])([O:63][H:139])[O:64][P:65](=[O:66])([O:67][H:140])[O:68][C:69]([C@@:70]1([H:141])[O:71][C@:72]([N:73]2:[C:74]([H:142]):[N:75]:[C:76]3:[C:77]([N:78]([H:143])[H:144]):[N:79]:[C:80]([H:145]):[N:81]:[C:82]:2:3)([H:146])[C@@:83]([O:84][H:147])([H:148])[C@@:85]1([O:86][P:87](=[O:88])([O:89][H:149])[O:90][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])[H:174])([H:175])[H:176])([H:177])[H:178])([H:179])[H:180])([H:181])[H:182])([H:183])[H:184])([H:185])[H:186])([H:187])([H:188])[H:189]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C@@:22]([O:23][C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([H:187])([H:188])[H:189])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])([H:169])[H:170])([H:167])[H:168])=[O:42])([C:24]([O:25][P:26](=[O:27])([O:28][H:92])[O:29][H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])([H:130])[H:131].[H][S:43][C:44]([C:45]([N:46]([C:47](=[O:48])[C:49]([C:50]([N:51]([C:52](=[O:53])[C@:54]([O:55][H:132])([C:56]([C:57]([H:133])([H:134])[H:135])([C:58]([H:136])([H:137])[H:138])[C:59]([O:60][P:61](=[O:62])([O:63][H:139])[O:64][P:65](=[O:66])([O:67][H:140])[O:68][C:69]([C@@:70]1([H:141])[O:71][C@:72]([N:73]2:[C:74]([H:142]):[N:75]:[C:76]3:[C:77]([N:78]([H:143])[H:144]):[N:79]:[C:80]([H:145]):[N:81]:[C:82]:2:3)([H:146])[C@@:83]([O:84][H:147])([H:148])[C@@:85]1([O:86][P:87](=[O:88])([O:89][H:149])[O:90][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]