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EVODEX.1-P4126

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([O:10][C:11](=[O:12])[C:13](=[C:14]([C:15]2:[C:16]([H:31]):[C:17]([H:32]):[C:18]([N+:19]([C:20]([H:33])([H:34])[H:35])([C:21]([H:36])([H:37])[H:38])[C:22]([H:39])([H:40])[H:41]):[C:23]([H:42]):[C:24]:2[H:43])[H:44])[H:45]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H]>>[H][O:10][C:11](=[O:12])[C:13](=[C:14]([C:15]1:[C:16]([H:31]):[C:17]([H:32]):[C:18]([N+:19]([C:20]([H:33])([H:34])[H:35])([C:21]([H:36])([H:37])[H:38])[C:22]([H:39])([H:40])[H:41]):[C:23]([H:42]):[C:24]:1[H:43])[H:44])[H:45]

Derived Operators

EVODEX.1-F184 - Elemental Balance

C-10
O-2
H-6

EVODEX.1-M268 - Mass Difference

-158.03678

EVODEX.1-E880 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[#8:10]-[#6:11]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])(-[H])-[H]>>[#8:10](-[#6:11])-[H]

EVODEX.1-C514 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[#8:10]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H]>>[H]-[#8:10]

EVODEX.1-N650 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[#8:10]-[#6@:11]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H]>>[H]-[#8:10]-[#6@:11]

EVODEX.1-Em614 - Reaction Operator Em

Reaction Operator Em SMIRKS

nan

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm549 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R4966

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:29]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:30]):[C:9]([O:10][C:11](=[O:12])[C:13](=[C:14]([C:15]3:[C:16]([H:31]):[C:17]([H:32]):[C:18]([N+:19]([C:20]([H:33])([H:34])[H:35])([C:21]([H:36])([H:37])[H:38])[C:22]([H:39])([H:40])[H:41]):[C:23]([H:42]):[C:24]:3[H:43])[H:44])[H:45]):[C:25]([H:46]):[C:26]([H:47]):[C:27]:1:2)([H:48])([H:49])[H:50].[H][O:28][H:51]>>[C:1]([C:2]1:[C:3]([H:29]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:30]):[C:9]([O:28][H:51]):[C:25]([H:46]):[C:26]([H:47]):[C:27]:1:2)([H:48])([H:49])[H:50].[H][O:10][C:11](=[O:12])[C:13](=[C:14]([C:15]1:[C:16]([H:31]):[C:17]([H:32]):[C:18]([N+:19]([C:20]([H:33])([H:34])[H:35])([C:21]([H:36])([H:37])[H:38])[C:22]([H:39])([H:40])[H:41]):[C:23]([H:42]):[C:24]:1[H:43])[H:44])[H:45]