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EVODEX.1-P2807

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H])[N:1]([H:33])[H:34].O=[C:19]([C:18]([C:17]([C:15](=[O:14])[O:16][H:35])([H:39])[H:40])([H:37])[H:38])[C:21](=[O:22])[O:23][H:36]>>[H][C@:19]([N:1]([H:33])[H:34])([C:18]([C:17]([C:15](=[O:14])[O:16][H:35])([H:39])[H:40])([H:37])[H:38])[C:21](=[O:22])[O:23][H:36]

Derived Operators

EVODEX.1-F106 - Elemental Balance

O-4
C-9
H-8

EVODEX.1-M236 - Mass Difference

-180.04224

EVODEX.1-E691 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8])-[#6:5]=[#8:6].[#7:8](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:36])-[H:37]>>[#6:2]-[#6:3](-[#6:5]=[#8:6])(-[#7:8](-[H:36])-[H:37])-[H]

EVODEX.1-C424 - Reaction Operator C

Reaction Operator C SMIRKS

[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])-[#7:10]>>[H]-[#6@:5]-[#7:10]

EVODEX.1-N506 - Reaction Operator N

Reaction Operator N SMIRKS

[#8]=[#6:5](-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])-[#7:10](-[H:40])-[H:41]>>[H]-[#6@:5](-[#6:4])(-[#6:7])-[#7:10](-[H:40])-[H:41]

EVODEX.1-Em19 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]

EVODEX.1-Cm21 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:3].[#8]=[#6:19]>>[H]-[#6:19]-[#7:3]

EVODEX.1-Nm15 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]

Source Full Reactions

EVODEX.1-R3505

Full Reaction Rendering

[H][C@:2]([N:1]([H:33])[H:34])([C:3]([C:4]1:[C:5]([H:24]):[C:6]([H:25]):[C:7]([O:8][H:26]):[C:9]([H:27]):[C:10]:1[H:28])([H:29])[H:30])[C:11](=[O:12])[O:13][H:31].[O:14]=[C:15]([O:16][H:35])[C:17]([C:18]([C:19](=[O:20])[C:21](=[O:22])[O:23][H:36])([H:37])[H:38])([H:39])[H:40]>>[C:2]([C:3]([C:4]1:[C:5]([H:24]):[C:6]([H:25]):[C:7]([O:8][H:26]):[C:9]([H:27]):[C:10]:1[H:28])([H:29])[H:30])([C:11](=[O:12])[O:13][H:31])=[O:20].[H][C@:19]([N:1]([H:33])[H:34])([C:18]([C:17]([C:15](=[O:14])[O:16][H:35])([H:39])[H:40])([H:37])[H:38])[C:21](=[O:22])[O:23][H:36]