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EVODEX.1-P3730

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E152 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:16]-[#8:18]-[H].[#6:34]-[#8:35]-[#16:36](=[#8:37])(=[#8:38])-[#8:39]>>[#15:16]-[#8:18]-[#16:36](=[#8:37])(=[#8:38])-[#8:39].[#6:34]-[#8:35]-[H]

EVODEX.1-C481 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:18].[#6@@:26]-[#6@@:20]).[#16:29]-[#8:32]>>([#8:18]-[#16:29].[#6@:20]-[#6@:26]).[H]-[#8:32]

EVODEX.1-N590 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:18]-[#15:16].[#8:27]-[#6@:26](-[#6@:11])(-[H:62])-[#6@@:20](-[#6@@:13])(-[#8:21])-[H:60]).[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>([#15:16]-[#8:18]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[#8:21]-[#6@@:20](-[#6@@:13])(-[H:60])-[#6@:26](-[#6@:11])(-[#8:27])-[H:62]).[H]-[#8:32]-[#6:33]

EVODEX.1-Em112 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:18]-[#15:16].[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15:16]-[#8:18]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]

EVODEX.1-Cm64 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:11].[#8:40]-[#16:41]>>[#8:11]-[#16:41].[H]-[#8:40]

EVODEX.1-Nm143 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:18]-[#15:16].[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15:16]-[#8:18]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]

Source Full Reactions

EVODEX.1-R4551

Full Reaction Rendering

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