EVODEX.1-P770

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C100 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N30 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]-[H:18]>>[#6:3]-[#6:5](=[#8:6])-[#8:7]-[H:18].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Em313 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:3]=[#6:2])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:2]=[#6:3]-[#6:5](=[#8:6])-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Cm122 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm101 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:3]-[#6:5](=[#8:6])-[#8:7].[H]-[#8:8]-[#8:9]-[H]

Source Full Reactions

EVODEX.1-R733

Full Reaction Rendering

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