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EVODEX.1-P3765

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E265 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[#7:1](-[#6:2])(-[H:70])-[H]>>[#15:29]-[#8:32]-[H].[#7:1](-[#6:2])(-[#16:33](=[#8:34])(=[#8:35])-[#8:36])-[H:70]

EVODEX.1-C480 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:32]-[#16:33].[#6@:37]-[#6@:43]).[H]-[#7:1]>>([H]-[#8:32].[#6@@:43]-[#6@@:37]).[#7:1]-[#16:33]

EVODEX.1-N589 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[#8:38]-[#6@@:37](-[#6@@:26])(-[H:55])-[#6@:43](-[#6@:24])(-[#8:44])-[H:57]).[H]-[#7:1](-[#6:2])-[H:70]>>([H]-[#8:32]-[#15:29].[#8:44]-[#6@:43](-[#6@:24])(-[H:57])-[#6@@:37](-[#6@@:26])(-[#8:38])-[H:55]).[#7:1](-[#6:2])(-[#16:33](=[#8:34])(=[#8:35])-[#8:36])-[H:70]

EVODEX.1-Em566 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[H]-[#7:1]-[#6:2]>>[H]-[#8:32]-[#15:29].[#7:1](-[#6:2])-[#16:33](=[#8:34])(=[#8:35])-[#8:36]

EVODEX.1-Cm256 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:32]-[#16:33].[H]-[#7:1]>>[H]-[#8:32].[#7:1]-[#16:33]

EVODEX.1-Nm512 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[H]-[#7:1]-[#6:2]>>[H]-[#8:32]-[#15:29].[#7:1](-[#6:2])-[#16:33](=[#8:34])(=[#8:35])-[#8:36]

Source Full Reactions

EVODEX.1-R4628

Full Reaction Rendering

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