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EVODEX.1-P6526

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R7105

Full Reaction Rendering

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