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EVODEX.1-P3769

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:14]([C:15]1:[N:16]:[C:17]([H:45]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:46]):[N:23]:2[C@:24]1([H:47])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:48])[O:32][S:33](=[O:34])(=[O:35])[O:36][H:49])([H:50])[H:51])([H:52])[C@:37]([O:38][P:39](=[O:40])([O:41][H:53])[O:42][H:54])([H:55])[C@:43]1([O:44][H:56])[H:57])([H:58])[H:59].[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])[H:70]>>[H][O:32][P:29]([O:28][C:27]([C@@:26]1([H:52])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:45]):[N:16]:[C:15]([N:14]([H:58])[H:59]):[C:20]:3:[N:21]:[C:22]:2[H:46])([H:47])[C@@:43]([O:44][H:56])([H:57])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:53])[O:42][H:54])[H:55])([H:50])[H:51])(=[O:30])[O:31][H:48].[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])([S:33](=[O:34])(=[O:35])[O:36][H:49])[H:70]

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-R4630

Full Reaction Rendering

[N:14]([C:15]1:[N:16]:[C:17]([H:45]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:46]):[N:23]:2[C@:24]1([H:47])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:48])[O:32][S:33](=[O:34])(=[O:35])[O:36][H:49])([H:50])[H:51])([H:52])[C@:37]([O:38][P:39](=[O:40])([O:41][H:53])[O:42][H:54])([H:55])[C@:43]1([O:44][H:56])[H:57])([H:58])[H:59].[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])[H:70]>>[H][O:32][P:29]([O:28][C:27]([C@@:26]1([H:52])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:45]):[N:16]:[C:15]([N:14]([H:58])[H:59]):[C:20]:3:[N:21]:[C:22]:2[H:46])([H:47])[C@@:43]([O:44][H:56])([H:57])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:53])[O:42][H:54])[H:55])([H:50])[H:51])(=[O:30])[O:31][H:48].[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])([S:33](=[O:34])(=[O:35])[O:36][H:49])[H:70]