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EVODEX.1-P3745

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E151 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:11]-[#8:12]-[#16:13](=[#8:14])(=[#8:15])-[#8:16].([#15:40]-[#8:42]-[H].[#8:45]-[#6@@:44](-[#6@@:37])(-[H:80])-[#6@:50](-[#6@:35])(-[#8:51])-[H:82])>>[#6:11]-[#8:12]-[H].([#16:13](=[#8:14])(=[#8:15])(-[#8:16])-[#8:42]-[#15:40].[#8:51]-[#6@:50](-[#6@:35])(-[H:82])-[#6@@:44](-[#6@@:37])(-[#8:45])-[H:80])

EVODEX.1-C79 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]-[#8:5].[H]-[#8:16]>>[#16:2]-[#8:16].[H]-[#8:5]

EVODEX.1-N1238 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#8:6]-[#16:7](=[#8:8])(=[#8:9])-[#8:10].[H]-[#8:28]-[#15:26]>>[H]-[#8:6]-[#6:5].[#16:7](=[#8:8])(=[#8:9])(-[#8:10])-[#8:28]-[#15:26]

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-R4578

Full Reaction Rendering

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