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EVODEX.1-P5209

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)N([H])C([H])([H])C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:25])([H:26])[H:27])[H:44])([H:42])[H:43])([C:21]([N:22]([H:39])[H:40])=[O:23])[H:41])[H:38]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:25])([H:26])[H:27])[H:44])([H:42])[H:43])([C:21]([N:22]([H:39])[H:40])=[O:23])[H:41])[H:38]

Derived Operators

EVODEX.1-F258 - Elemental Balance

C-10
N-1
O-3
H-9

EVODEX.1-M308 - Mass Difference

-191.05827

EVODEX.1-E986 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#6](-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H])-[H])-[#7:16](-[#6@@:17])-[H:85]>>[#7:16](-[#6@@:17])(-[H:85])-[H]

EVODEX.1-C606 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N763 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:13](-[#6@:4])-[H:46]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@:4])-[H:46]

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-R5970

Full Reaction Rendering

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