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EVODEX.1-P4574

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E190 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-N698 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em639 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6].[H]-[#7:4]-[#7:5]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm574 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6].[H]-[#7:4]-[#7:5]

Source Full Reactions

EVODEX.1-R5407

Full Reaction Rendering

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