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EVODEX.1-P4983

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N1C(=O)C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:34]):[C:14]([H:35]):[C:15]([O:16][H:36]):[C:17]([H:37]):[C:18]:1[H:38])([H:39])[H:40])([C:19](=[O:20])[N:21]1[C:22]([H:41])([H:42])[C:23]([H:43])([H:44])[C:24]([H:45])([H:46])[C@:25]1([C:26](=[O:27])[O:28][H:47])[H:48])[H:49])[H:50]>>[H][N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:34]):[C:14]([H:35]):[C:15]([O:16][H:36]):[C:17]([H:37]):[C:18]:1[H:38])([H:39])[H:40])([C:19](=[O:20])[N:21]1[C:22]([H:41])([H:42])[C:23]([H:43])([H:44])[C:24]([H:45])([H:46])[C@:25]1([C:26](=[O:27])[O:28][H:47])[H:48])[H:49])[H:50]

Derived Operators

EVODEX.1-F233 - Elemental Balance

O-2
C-5
N-1
H-5

EVODEX.1-M293 - Mass Difference

-111.03205

EVODEX.1-E953 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:17](-[#6@:9])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]-1-[H])-[H:40]>>[#7:17](-[#6@:9])(-[H:40])-[H]

EVODEX.1-C625 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]1-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:9]>>[H]-[#7:9]

EVODEX.1-N780 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]1-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:9](-[#6@@:10])-[H:50]>>[H]-[#7:9](-[#6@@:10])-[H:50]

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-R5764

Full Reaction Rendering

[O:2]=[C:3]1[C:4]([H:30])([H:31])[C:5]([H:32])([H:33])[C@:6]([C:7](=[O:8])[N:9]([C@@:10]([C:11]([C:12]2:[C:13]([H:34]):[C:14]([H:35]):[C:15]([O:16][H:36]):[C:17]([H:37]):[C:18]:2[H:38])([H:39])[H:40])([C:19](=[O:20])[N:21]2[C:22]([H:41])([H:42])[C:23]([H:43])([H:44])[C:24]([H:45])([H:46])[C@:25]2([C:26](=[O:27])[O:28][H:47])[H:48])[H:49])[H:50])([H:51])[N:29]1[H:52].[H][O:1][H:53]>>[H][N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:34]):[C:14]([H:35]):[C:15]([O:16][H:36]):[C:17]([H:37]):[C:18]:1[H:38])([H:39])[H:40])([C:19](=[O:20])[N:21]1[C:22]([H:41])([H:42])[C:23]([H:43])([H:44])[C:24]([H:45])([H:46])[C@:25]1([C:26](=[O:27])[O:28][H:47])[H:48])[H:49])[H:50].[O:1]([C:7]([C@:6]1([H:51])[C:5]([H:32])([H:33])[C:4]([H:30])([H:31])[C:3](=[O:2])[N:29]1[H:52])=[O:8])[H:53]