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EVODEX.1-P5744

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[H:28])([C:17](=[O:18])[O:19][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[C:7](=[O:8])=[O:9].[H]O[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([C:17](=[O:18])[O:19][H:29])[H:30])[H:28]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E397 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4](=[#8:5])-[#7:6](-[#6:7])-[H:19])(-[H:20])-[H:21]>>[#6:1]-[#6:2](-[#8]-[H])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H].[#8:3]=[#6:4]=[#8:5]

EVODEX.1-C1017 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:6](-[#6@:5])-[#6:7]-[#8:9]-[#6:10]>>[#6:7]=[#8:9].[H]-[#8]-[#6:10].[H]-[#7:6]-[#6@@:5]

EVODEX.1-N1272 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:6](-[#6@@:5](-[#6@:3])(-[#6:17])-[H:33])(-[#6:7](=[#8:8])-[#8:9]-[#6:10](-[#6:11])(-[H:29])-[H:30])-[H:31]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10](-[#6:11])(-[H:29])-[H:30].[H]-[#7:6](-[#6@@:5](-[#6@:3])(-[#6:17])-[H:33])-[H:31]

EVODEX.1-Em674 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]

EVODEX.1-Cm268 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:6]-[#6:7]-[#8:9]-[#6:10]>>[#6:7]=[#8:9].[#8]-[#6:10].[H]-[#7:6]

EVODEX.1-Nm607 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]

Source Full Reactions

EVODEX.1-R6446

Full Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[H:28])([C:17](=[O:18])[O:19][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][O:20][H:38]>>[C:7](=[O:8])=[O:9].[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([O:20][H:38])([H:26])[H:27].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([C:17](=[O:18])[O:19][H:29])[H:30])[H:28]