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EVODEX.1-P6527

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-C1024 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1278 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:9](-[#6@@:8](-[#6:7]-[#6:6]-[#6:4](-[#7:3](-[#6:2])-[H:21])=[#8:5])(-[#6:10])-[H:16])-[H:13]>>[#6:4]1(=[#8:5])-[#6:6]-[#6:7]-[#6@:8](-[#6:10])(-[H:16])-[#7:9]-1-[H:13].[H]-[#7:3](-[#6:2])-[H:21]

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-R7106

Full Reaction Rendering

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