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EVODEX.1-P3284

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R3924

Full Reaction Rendering

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