EVODEX.1-P1630

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])([C:4]([O:5][P:6](=[O:7])([O:8][H:63])[O:9][P:10](=[O:11])([O:12][H:64])[O:13][C:14]([C@@:15]1([H:65])[O:16][C@:17]([N:18]2:[C:19]([H:66]):[N:20]:[C:21]3:[C:22]([N:23]([H:67])[H:68]):[N:24]:[C:25]([H:69]):[N:26]:[C:27]:2:3)([H:70])[C@@:28]([O:29][H:71])([H:72])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:73])[O:35][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[C@@:36]([O:37][H:80])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]([C:52]([C:53]([O:54][H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])([H:100])[H:101].[H][O:57][P:56](=[O:55])([O:58][H:103])[O:59][H:104]>>[C:49](=[O:50])([C:51]([C:52]([C:53]([O:54][H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[O:57][P:56](=[O:55])([O:58][H:103])[O:59][H:104].[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:99])([H:100])[H:101])([C:3]([H:60])([H:61])[H:62])[C:4]([O:5][P:6](=[O:7])([O:8][H:63])[O:9][P:10](=[O:11])([O:12][H:64])[O:13][C:14]([C@@:15]1([H:65])[O:16][C@:17]([N:18]2:[C:19]([H:66]):[N:20]:[C:21]3:[C:22]([N:23]([H:67])[H:68]):[N:24]:[C:25]([H:69]):[N:26]:[C:27]:2:3)([H:70])[C@@:28]([O:29][H:71])([H:72])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:73])[O:35][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([O:37][H:80])[H:98])=[O:39])[H:97])([H:95])[H:96])([H:93])[H:94])=[O:44])[H:92])([H:90])[H:91])([H:88])[H:89]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E230 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[#15:49]-[#8:50]-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[#16:4](-[#6:5])-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N355 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

EVODEX.1-Em449 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm402 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

Source Full Reactions

EVODEX.1-R2184

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])([C:4]([O:5][P:6](=[O:7])([O:8][H:63])[O:9][P:10](=[O:11])([O:12][H:64])[O:13][C:14]([C@@:15]1([H:65])[O:16][C@:17]([N:18]2:[C:19]([H:66]):[N:20]:[C:21]3:[C:22]([N:23]([H:67])[H:68]):[N:24]:[C:25]([H:69]):[N:26]:[C:27]:2:3)([H:70])[C@@:28]([O:29][H:71])([H:72])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:73])[O:35][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[C@@:36]([O:37][H:80])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]([C:52]([C:53]([O:54][H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])([H:100])[H:101].[H][O:57][P:56](=[O:55])([O:58][H:103])[O:59][H:104]>>[C:49](=[O:50])([C:51]([C:52]([C:53]([O:54][H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[O:57][P:56](=[O:55])([O:58][H:103])[O:59][H:104].[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:99])([H:100])[H:101])([C:3]([H:60])([H:61])[H:62])[C:4]([O:5][P:6](=[O:7])([O:8][H:63])[O:9][P:10](=[O:11])([O:12][H:64])[O:13][C:14]([C@@:15]1([H:65])[O:16][C@:17]([N:18]2:[C:19]([H:66]):[N:20]:[C:21]3:[C:22]([N:23]([H:67])[H:68]):[N:24]:[C:25]([H:69]):[N:26]:[C:27]:2:3)([H:70])[C@@:28]([O:29][H:71])([H:72])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:73])[O:35][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([O:37][H:80])[H:98])=[O:39])[H:97])([H:95])[H:96])([H:93])[H:94])=[O:44])[H:92])([H:90])[H:91])([H:88])[H:89]