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EVODEX.1-P3484

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:34])[O:8][H:35])([H:36])([H:37])[H:38].[H][O:25][P:23]([O:22][P:19]([O:18][C:17]([C@@:16]1([H:47])[O:15][C@:14]([N:13]2:[C:12]([H:40]):[C:11]([H:39]):[C:10]([N:9]([H:52])[H:53]):[N:33]:[C:31]:2=[O:32])([H:41])[C@@:29]([O:30][H:50])([H:51])[C@@:27]1([O:28][H:48])[H:49])([H:45])[H:46])(=[O:20])[O:21][H:42])(=[O:24])[O:26][H:44]>>[H][O:4][C:2]([C:1]([H:36])([H:37])[H:38])=[O:3].[P:5](=[O:6])([O:7][H:34])([O:8][H:35])[O:25][P:23]([O:22][P:19]([O:18][C:17]([C@@:16]1([H:47])[O:15][C@:14]([N:13]2:[C:12]([H:40]):[C:11]([H:39]):[C:10]([N:9]([H:52])[H:53]):[N:33]:[C:31]:2=[O:32])([H:41])[C@@:29]([O:30][H:50])([H:51])[C@@:27]1([O:28][H:48])[H:49])([H:45])[H:46])(=[O:20])[O:21][H:42])(=[O:24])[O:26][H:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E162 - Reaction Operator E

Reaction Operator E SMIRKS

([#15:25]-[#8:27]-[H].[#8:30]-[#6@@:29](-[#6@@:22])(-[H:45])-[#6@:31](-[#6@:20])(-[#8:32])-[H:47]).[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]-[#6:9]>>([#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:27]-[#15:25].[#8:32]-[#6@:31](-[#6@:20])(-[H:47])-[#6@@:29](-[#6@@:22])(-[#8:30])-[H:45]).[#8:8](-[#6:9])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N1103 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8].[H]-[#8:25]-[#15:23]>>[H]-[#8:4]-[#6:2].[#15:5](=[#8:6])(-[#8:7])(-[#8:8])-[#8:25]-[#15:23]

EVODEX.1-Em65 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm78 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

Source Full Reactions

EVODEX.1-R4173

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:34])[O:8][H:35])([H:36])([H:37])[H:38].[H][O:25][P:23]([O:22][P:19]([O:18][C:17]([C@@:16]1([H:47])[O:15][C@:14]([N:13]2:[C:12]([H:40]):[C:11]([H:39]):[C:10]([N:9]([H:52])[H:53]):[N:33]:[C:31]:2=[O:32])([H:41])[C@@:29]([O:30][H:50])([H:51])[C@@:27]1([O:28][H:48])[H:49])([H:45])[H:46])(=[O:20])[O:21][H:42])(=[O:24])[O:26][H:44]>>[H][O:4][C:2]([C:1]([H:36])([H:37])[H:38])=[O:3].[P:5](=[O:6])([O:7][H:34])([O:8][H:35])[O:25][P:23]([O:22][P:19]([O:18][C:17]([C@@:16]1([H:47])[O:15][C@:14]([N:13]2:[C:12]([H:40]):[C:11]([H:39]):[C:10]([N:9]([H:52])[H:53]):[N:33]:[C:31]:2=[O:32])([H:41])[C@@:29]([O:30][H:50])([H:51])[C@@:27]1([O:28][H:48])[H:49])([H:45])[H:46])(=[O:20])[O:21][H:42])(=[O:24])[O:26][H:44]