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EVODEX.1-P4640

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:13]([C@@:14]([C:15]([C:16]2:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]:2[H:37])([H:38])[H:39])([C:22](=[O:23])[O:24][H:40])[H:41])[H:42])N([H])[H]):C([H]):C:1[H]>>[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]:1[H:37])([H:38])[H:39])([C:22](=[O:23])[O:24][H:40])[H:41])[H:42]

Derived Operators

EVODEX.1-F200 - Elemental Balance

O-2
C-9
N-1
H-9

EVODEX.1-M127 - Mass Difference

-163.06337

EVODEX.1-E901 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:3](-[#6@:2])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H:30]>>[#7:3](-[#6@:2])(-[H:30])-[H]

EVODEX.1-C554 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]

EVODEX.1-N707 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:38])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@@:14])-[H:38]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5462

Full Reaction Rendering

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