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EVODEX.1-P6530

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]([C:9]([O:10][H:17])([H:18])[H:19])([C:11](=[O:12])[O:13][H:20])[H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([C:14](=[O:15])[O:16][H:27])[H:28])[H:29]>>[H][N:7]([C@@:8]([C:9]([O:10][H:17])([H:18])[H:19])([C:11](=[O:12])[O:13][H:20])[H:21])[H:22].[N:1]1([H:29])[C@@:2]([C:14](=[O:15])[O:16][H:27])([H:28])[C:3]([H:25])([H:26])[C:4]([H:23])([H:24])[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-R7109

Full Reaction Rendering

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