EVODEX Logo

EVODEX.1-P382

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:15]1([H:22])[C@:14]([C:12](=[O:11])[O:13][H:20])([H:21])[N:17]([H:26])[C:16]1([H:24])[H:25].[O:18]=[O:19].[H]OC(=O)[C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:27])([H:31])[H:32])([H:29])[H:30])=[O:7]>>[H][O:18][C@@:15]1([H:22])[C@:14]([C:12](=[O:11])[O:13][H:20])([H:21])[N:17]([H:26])[C:16]1([H:24])[H:25].[H][O:19][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:27])([H:31])[H:32])([H:29])[H:30])=[O:7]

Derived Operators

EVODEX.1-F55 - Elemental Balance

O-2
C-1

EVODEX.1-M14 - Mass Difference

-43.9898

EVODEX.1-E581 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6](=[#8])-[#8]-[H].[#8:32]=[#8:33]>>[#6:13]-[#6@:14](-[#8:33]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#8:32]-[H]

EVODEX.1-C55 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[H]-[#8]-[#6](=[#8])-[#6:19].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-N154 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:112](-[#6:110])(-[#6@:113])-[H:245].[H]-[#8]-[#6](=[#8])-[#6:141](-[#6:140])=[#8:142].[#8:146]=[#8:147]>>[H]-[#8:146]-[#6:112](-[#6:110])(-[#6@:113])-[H:245].[H]-[#8:147]-[#6:141](-[#6:140])=[#8:142]

EVODEX.1-Em236 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:112](-[#6:110])-[#6:113].[#8]-[#6](=[#8])-[#6:141](-[#6:140])=[#8:142].[#8:146]=[#8:147]>>[H]-[#8:146]-[#6:112](-[#6:110])-[#6:113].[H]-[#8:147]-[#6:141](-[#6:140])=[#8:142]

EVODEX.1-Cm92 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[#6]-[#6:19].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-Nm234 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:112](-[#6:110])-[#6:113].[#8]-[#6](=[#8])-[#6:141](-[#6:140])=[#8:142].[#8:146]=[#8:147]>>[H]-[#8:146]-[#6:112](-[#6:110])-[#6:113].[H]-[#8:147]-[#6:141](-[#6:140])=[#8:142]

Source Full Reactions

EVODEX.1-R384

Full Reaction Rendering

[H][C:15]1([H:22])[C@:14]([C:12](=[O:11])[O:13][H:20])([H:21])[N:17]([H:26])[C:16]1([H:24])[H:25].[O:18]=[O:19].[H][O:10][C:8]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:27])([H:31])[H:32])([H:29])[H:30])=[O:7])=[O:9]>>[C:8](=[O:9])=[O:10].[H][O:18][C@@:15]1([H:22])[C@:14]([C:12](=[O:11])[O:13][H:20])([H:21])[N:17]([H:26])[C:16]1([H:24])[H:25].[H][O:19][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:27])([H:31])[H:32])([H:29])[H:30])=[O:7]