EVODEX.1-P2596

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:48])[O:10][P:11](=[O:12])([O:13][H:49])[O:14][H:50])([H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][N:15]([C:16]1:[N:17]:[C:18]([H:57]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:58]):[N:24]:2[C@@:25]1([H:59])[C:26]([H:60])([H:61])[C@@:27]([O:28][H:62])([H:63])[C@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:64])[O:35][P:36](=[O:37])([O:38][H:65])[O:39][P:40](=[O:41])([O:42][H:66])[O:43][H:67])([H:68])[H:69])([H:70])[O:44]1)[H:71]>>[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])=[C:4]([C:5]([N:15]([C:16]1:[N:17]:[C:18]([H:57]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:58]):[N:24]:2[C@@:25]1([H:59])[C:26]([H:60])([H:61])[C@@:27]([O:28][H:62])([H:63])[C@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:64])[O:35][P:36](=[O:37])([O:38][H:65])[O:39][P:40](=[O:41])([O:42][H:66])[O:43][H:67])([H:68])[H:69])([H:70])[O:44]1)[H:71])([H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:6][P:7](=[O:8])([O:9][H:48])[O:10][P:11](=[O:12])([O:13][H:49])[O:14][H:50]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E178 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:48])-[H:49].[#7:15](-[#6:16])(-[H:67])-[H]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49].[#8:6](-[#15:7])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N478 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:51])-[H:52].[H]-[#7:15](-[#6:16])-[H:71]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:71])(-[H:51])-[H:52].[H]-[#8:6]-[#15:7]

EVODEX.1-Em514 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16].[H]-[#8:6]-[#15:7]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm465 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16].[H]-[#8:6]-[#15:7]

Source Full Reactions

EVODEX.1-R3333

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:48])[O:10][P:11](=[O:12])([O:13][H:49])[O:14][H:50])([H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][N:15]([C:16]1:[N:17]:[C:18]([H:57]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:58]):[N:24]:2[C@@:25]1([H:59])[C:26]([H:60])([H:61])[C@@:27]([O:28][H:62])([H:63])[C@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:64])[O:35][P:36](=[O:37])([O:38][H:65])[O:39][P:40](=[O:41])([O:42][H:66])[O:43][H:67])([H:68])[H:69])([H:70])[O:44]1)[H:71]>>[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])=[C:4]([C:5]([N:15]([C:16]1:[N:17]:[C:18]([H:57]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:58]):[N:24]:2[C@@:25]1([H:59])[C:26]([H:60])([H:61])[C@@:27]([O:28][H:62])([H:63])[C@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:64])[O:35][P:36](=[O:37])([O:38][H:65])[O:39][P:40](=[O:41])([O:42][H:66])[O:43][H:67])([H:68])[H:69])([H:70])[O:44]1)[H:71])([H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:6][P:7](=[O:8])([O:9][H:48])[O:10][P:11](=[O:12])([O:13][H:49])[O:14][H:50]