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EVODEX.1-P1170

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F91 - Elemental Balance

C-1

EVODEX.1-M42 - Mass Difference

-12.0

EVODEX.1-E663 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#7:2](-[#6:3])-[H:24])(-[H])(-[H])-[H].[#8:13]=[#8:14]>>[#7:2](-[#6:3])(-[H:24])-[H].[#8:13](-[#8:14]-[H])-[H]

EVODEX.1-C248 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#7:6].[#8:12]=[#8:13]>>[H]-[#7:6].[H]-[#8:12]-[#8:13]-[H]

EVODEX.1-N261 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#7:6](-[#6@@:5])-[H:17].[#8:12]=[#8:13]>>[H]-[#7:6](-[#6@@:5])-[H:17].[H]-[#8:12]-[#8:13]-[H]

EVODEX.1-Em382 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6](-[H])(-[H])-[#7:6]-[#6:5].[#8:12]=[#8:13]>>[H]-[#7:6]-[#6:5].[H]-[#8:12]-[#8:13]-[H]

EVODEX.1-Cm132 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:6].[#8:12]=[#8:13]>>[H]-[#7:6].[H]-[#8:12]-[#8:13]-[H]

EVODEX.1-Nm342 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6](-[H])(-[H])-[#7:6]-[#6:5].[#8:12]=[#8:13]>>[H]-[#7:6]-[#6:5].[H]-[#8:12]-[#8:13]-[H]

Source Full Reactions

EVODEX.1-R1098

Full Reaction Rendering

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