EVODEX.1-P6531

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E64 - Reaction Operator E

Reaction Operator E SMIRKS

([#6:5]-[#7:6](-[#6:7](=[#8:8])-[#6:9])-[H:30].[#7:12](-[#6@:11])(-[H:22])-[H])>>[#6:7](=[#8:8])(-[#6:9])-[#7:12](-[#6@:11])-[H:22].[#6:5]-[#7:6](-[H:30])-[H]

EVODEX.1-C184 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:1].[#6:5]-[#7:7])>>[H]-[#7:7].[#7:1]-[#6:5]

EVODEX.1-N1417 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:1](-[#6@@:2])-[H:35].[#6:4]-[#6:5](=[#8:6])-[#7:7](-[#6:8])-[H:28])>>[H]-[#7:7](-[#6:8])-[H:28].[#7:1](-[H:35])(-[#6@@:2])-[#6:5](-[#6:4])=[#8:6]

EVODEX.1-Em781 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#7:9]-[#6:8].[#6:6]-[#6:4](-[#7:3]-[#6:2])=[#8:5])>>[#6:4](=[#8:5])(-[#6:6])-[#7:9]-[#6:8].[H]-[#7:3]-[#6:2]

EVODEX.1-Cm101 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#7:9].[#6:4]-[#7:3])>>[#6:4]-[#7:9].[H]-[#7:3]

EVODEX.1-Nm702 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#7:9]-[#6:8].[#6:6]-[#6:4](-[#7:3]-[#6:2])=[#8:5])>>[#6:4](=[#8:5])(-[#6:6])-[#7:9]-[#6:8].[H]-[#7:3]-[#6:2]

Source Full Reactions

EVODEX.1-R7110

Full Reaction Rendering

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