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EVODEX.1-P5741

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([O:4][H:21])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[H:29])([C:18](=[O:19])[O:20][H:30])[H:31])([H:32])[H:33]>>[C:8](=[O:9])=[O:10].[H][N:7]([C@@:6]([C:5]([C:3](=[O:2])[O:4][H:21])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29].[H]O[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[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-R6445

Full Reaction Rendering

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