EVODEX Logo

EVODEX.1-P5760

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([O:3][H:20])([C@:4]([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([H:24]):[C:15]:1[H:25])([H:26])[H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])[H:31])([H:32])([H:33])[H:34].[H][O:19][H:35]>>[C:6](=[O:7])=[O:8].[C:9]([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([H:24]):[C:15]:1[H:25])([O:19][H:35])([H:26])[H:27].[H][N:5]([C@@:4]([C:2]([C:1]([H:32])([H:33])[H:34])([O:3][H:20])[H:31])([C:16](=[O:17])[O:18][H:29])[H:30])[H:28]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E261 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4](=[#8:5])-[#7:6](-[#6:7])-[H:19])(-[H:20])-[H:21].[#8:13](-[H:25])-[H]>>[#6:1]-[#6:2](-[#8:13]-[H:25])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H].[#8:3]=[#6:4]=[#8:5]

EVODEX.1-C1441 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:5](-[#6@:4])-[#6:6]-[#8:8]-[#6:9].[H]-[#8:19]>>[#6:6]=[#8:8].[#6:9]-[#8:19].[H]-[#7:5]-[#6@@:4]

EVODEX.1-N1838 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6@:4](-[#7:5](-[#6:6](=[#8:7])-[#8:8]-[#6:9](-[#6:10])(-[H:26])-[H:27])-[H:28])(-[#6:16])-[H:30].[H]-[#8:19]-[H:35]>>[#6:6](=[#8:7])=[#8:8].[#6:9](-[#6:10])(-[#8:19]-[H:35])(-[H:26])-[H:27].[H]-[#7:5](-[#6@@:4](-[#6:2])(-[#6:16])-[H:30])-[H:28]

EVODEX.1-Em677 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#7:5]-[#6:6](=[#8:7])-[#8:8]-[#6:9]-[#6:10].[H]-[#8:19]>>[#6:6](=[#8:7])=[#8:8].[#6:9](-[#6:10])-[#8:19].[H]-[#7:5]-[#6:4]

EVODEX.1-Cm270 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:5]-[#6:6]-[#8:8]-[#6:9].[H]-[#8:19]>>[#6:6]=[#8:8].[#6:9]-[#8:19].[H]-[#7:5]

EVODEX.1-Nm610 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#7:5]-[#6:6](=[#8:7])-[#8:8]-[#6:9]-[#6:10].[H]-[#8:19]>>[#6:6](=[#8:7])=[#8:8].[#6:9](-[#6:10])-[#8:19].[H]-[#7:5]-[#6:4]

Source Full Reactions

EVODEX.1-R6456

Full Reaction Rendering

[C:1]([C:2]([O:3][H:20])([C@:4]([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([H:24]):[C:15]:1[H:25])([H:26])[H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])[H:31])([H:32])([H:33])[H:34].[H][O:19][H:35]>>[C:6](=[O:7])=[O:8].[C:9]([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([H:24]):[C:15]:1[H:25])([O:19][H:35])([H:26])[H:27].[H][N:5]([C@@:4]([C:2]([C:1]([H:32])([H:33])[H:34])([O:3][H:20])[H:31])([C:16](=[O:17])[O:18][H:29])[H:30])[H:28]