EVODEX.1-P2531

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4]([C:2](=[C:1]([H:39])[H:40])[C:3]([H:29])([H:30])[H:31])([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37].[C:15]([C:16]([C:17]([H:41])([H:42])[H:43])=[C:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37])([C:19]([C:18](=[C:16]([C:15]([H:50])([H:51])[H:52])[C:17]([H:41])([H:42])[H:43])[H:49])([H:47])[H:48])([H:39])[H:40].[H][O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E259 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](=[#6:2]-[#6:4](-[#6:5])(-[H:60])-[H])(-[H:62])-[H:63].[#6:33]-[#6:34](-[#8:35]-[#15:36])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63].[#8:35](-[#15:36])-[H]

EVODEX.1-C392 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:4].[#6:1]).[#6:34]-[#8:35]>>([#6:1]-[#6:34].[#6:4]).[H]-[#8:35]

EVODEX.1-N469 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1](-[H:62])-[H:63])(-[#6:5])-[H:60].[#6:33]-[#6:34](-[#8:35]-[#15:36])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63].[H]-[#8:35]-[#15:36]

EVODEX.1-Em506 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1])-[#6:5].[#6:33]-[#6:34]-[#8:35]-[#15:36]>>[#6:1](-[#6:2]=[#6:4]-[#6:5])-[#6:34]-[#6:33].[H]-[#8:35]-[#15:36]

EVODEX.1-Cm242 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:4].[#6:1]).[#6:34]-[#8:35]>>([#6:1]-[#6:34].[#6:4]).[H]-[#8:35]

EVODEX.1-Nm457 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1])-[#6:5].[#6:33]-[#6:34]-[#8:35]-[#15:36]>>[#6:1](-[#6:2]=[#6:4]-[#6:5])-[#6:34]-[#6:33].[H]-[#8:35]-[#15:36]

Source Full Reactions

EVODEX.1-R3280

Full Reaction Rendering

[H][C:4]([C:2](=[C:1]([H:39])[H:40])[C:3]([H:29])([H:30])[H:31])([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37].[C:15]([C:16]([C:17]([H:41])([H:42])[H:43])=[C:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37])([C:19]([C:18](=[C:16]([C:15]([H:50])([H:51])[H:52])[C:17]([H:41])([H:42])[H:43])[H:49])([H:47])[H:48])([H:39])[H:40].[H][O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46]