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EVODEX.1-P5838

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E167 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43](-[#6:39])-[H:68].[#8:32](-[H:69])-[H]>>([#8:32](-[#6:35](=[#8:34])-[#6:36])-[H:69].[#6:39]-[#7:43](-[H:68])-[H])

EVODEX.1-C1442 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:8]-[#6:9]-[#6@:4].[H]-[#8:11]>>([H]-[#7:8].[#6:9](-[#6@@:4])-[#8:11])

EVODEX.1-N1840 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6@:4]1(-[H:15])-[#7:5]-[#6:6]-[#7:8](-[H:17])-[#6:9]-1=[#8:10].[H]-[#8:11]-[H:22]>>[H]-[#7:8](-[#6:6]-[#7:5]-[#6@@:4](-[#6:2])(-[#6:9](=[#8:10])-[#8:11]-[H:22])-[H:15])-[H:17]

EVODEX.1-Em679 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39].[H]-[#8:32]>>([H]-[#7:43]-[#6:39].[#6:36]-[#6:35](-[#8:32])=[#8:34])

EVODEX.1-Cm272 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:35]-[#7:43].[H]-[#8:32]>>([H]-[#7:43].[#6:35]-[#8:32])

EVODEX.1-Nm612 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39].[H]-[#8:32]>>([H]-[#7:43]-[#6:39].[#6:36]-[#6:35](-[#8:32])=[#8:34])

Source Full Reactions

EVODEX.1-R6528

Full Reaction Rendering

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