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EVODEX.1-P3759

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])[H:41].[N:10]([C:11]1:[N:12]:[C:13]([H:60]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:61]):[N:19]:2[C@:20]1([H:62])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:28][S:29](=[O:30])(=[O:31])[O:32][H:64])([H:65])[H:66])([H:67])[C@:33]([O:34][P:35](=[O:36])([O:37][H:68])[O:38][H:69])([H:70])[C@:39]1([O:40][H:71])[H:72])([H:73])[H:74]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([N:9]([S:29](=[O:30])(=[O:31])[O:32][H:64])[H:41])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:67])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:60]):[N:12]:[C:11]([N:10]([H:73])[H:74]):[C:16]:3:[N:17]:[C:18]:2[H:61])([H:62])[C@@:39]([O:40][H:71])([H:72])[C@@:33]1([O:34][P:35](=[O:36])([O:37][H:68])[O:38][H:69])[H:70])([H:65])[H:66])(=[O:26])[O:27][H:63]

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-R4624

Full Reaction Rendering

[H][N:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])[H:41].[N:10]([C:11]1:[N:12]:[C:13]([H:60]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:61]):[N:19]:2[C@:20]1([H:62])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:63])[O:28][S:29](=[O:30])(=[O:31])[O:32][H:64])([H:65])[H:66])([H:67])[C@:33]([O:34][P:35](=[O:36])([O:37][H:68])[O:38][H:69])([H:70])[C@:39]1([O:40][H:71])[H:72])([H:73])[H:74]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([N:9]([S:29](=[O:30])(=[O:31])[O:32][H:64])[H:41])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:67])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:60]):[N:12]:[C:11]([N:10]([H:73])[H:74]):[C:16]:3:[N:17]:[C:18]:2[H:61])([H:62])[C@@:39]([O:40][H:71])([H:72])[C@@:33]1([O:34][P:35](=[O:36])([O:37][H:68])[O:38][H:69])[H:70])([H:65])[H:66])(=[O:26])[O:27][H:63]