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EVODEX.1-P6074

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E291 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3]-[#6:5]=[#6:7]-[#6:8]=[#6:9](-[#6:10](=[#8:11])-[#6:12])-[H:25].[#8:1](-[H:28])-[H]>>[#8:2]=[#6:3]-[#6:5]=[#6:7]-[#6:8]=[#6:9](-[H:25])-[H].[#8:1](-[#6:10](=[#8:11])-[#6:12])-[H:28]

EVODEX.1-C39 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-N894 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]=[#6:9](-[#6:10](=[#8:11])-[#6:12])-[H:25].[H]-[#8:1]-[H:28]>>[H]-[#6:9](=[#6:8])-[H:25].[#8:1](-[#6:10](=[#8:11])-[#6:12])-[H:28]

EVODEX.1-Em704 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3]-[#6:5]=[#6:7]-[#6:8]=[#6:9]-[#6:10](=[#8:11])-[#6:12].[H]-[#8:1]>>[H]-[#6:9]=[#6:8]-[#6:7]=[#6:5]-[#6:3]=[#8:2].[#8:1]-[#6:10](=[#8:11])-[#6:12]

EVODEX.1-Cm82 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-Nm633 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]=[#6:9]-[#6:10](=[#8:11])-[#6:12].[H]-[#8:1]>>[H]-[#6:9]=[#6:8].[#8:1]-[#6:10](=[#8:11])-[#6:12]

Source Full Reactions

EVODEX.1-R6694

Full Reaction Rendering

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