EVODEX Logo

EVODEX.1-P402

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:6]([C@@:5]([N:4]([C:3]([C:2](=[C:1]([H:32])[H:33])[H:31])([H:29])[H:30])[H:28])([C:8](=[O:9])[O:10][H:26])[H:27])([S:7][H:23])[H:24].O=[O:21]>>[H][O:21][C:6]([C@@:5]([N:4]([C:3]([C:2](=[C:1]([H:32])[H:33])[H:31])([H:29])[H:30])[H:28])([C:8](=[O:9])[O:10][H:26])[H:27])([S:7][H:23])[H:24]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E442 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#16:4])(-[H:31])-[H].[#8:24]=[#8]>>[#6:2]-[#6:3](-[#16:4])(-[#8:24]-[H])-[H:31]

EVODEX.1-C21 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6@:2]

EVODEX.1-N176 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[#6:2])(-[#16:4])-[H:46].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])(-[#16:4])-[H:46]

EVODEX.1-Em258 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2])-[#16:4].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])-[#16:4]

EVODEX.1-Cm40 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6:2]

EVODEX.1-Nm256 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])-[#16:4].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])-[#16:4]

Source Full Reactions

EVODEX.1-R396

Full Reaction Rendering

[H][C:6]([C@@:5]([N:4]([C:3]([C:2](=[C:1]([H:32])[H:33])[H:31])([H:29])[H:30])[H:28])([C:8](=[O:9])[O:10][H:26])[H:27])([S:7][H:23])[H:24].[H][O:20][C:18]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:34])([H:38])[H:39])([H:36])[H:37])=[O:17])=[O:19].[O:21]=[O:22]>>[C:18](=[O:19])=[O:20].[H][O:21][C:6]([C@@:5]([N:4]([C:3]([C:2](=[C:1]([H:32])[H:33])[H:31])([H:29])[H:30])[H:28])([C:8](=[O:9])[O:10][H:26])[H:27])([S:7][H:23])[H:24].[H][O:22][C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:34])([H:38])[H:39])([H:36])[H:37])=[O:17]