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EVODEX.1-P570

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([S:4][C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])[H:30].O=[O:23]>>[H][O:23][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([S:4][C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])[H:30]

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-R540

Full Reaction Rendering

[H][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([S:4][C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])[H:30].[H][O:20][C:19]1=[C:21]([O:22][H])[C:12](=[O:11])[O:13][C@@:14]1([C@@:15]([O:16][H:36])([C:17]([O:18][H:37])([H:38])[H:39])[H:40])[H:41].[O:23]=[O:24]>>[H][O:23][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([S:4][C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])[H:30].[O:11]=[C:12]1[O:13][C@@:14]([C@@:15]([O:16][H:36])([C:17]([O:18][H:37])([H:38])[H:39])[H:40])([H:41])[C:19](=[O:20])[C:21]1=[O:22].[H][O:24][H]