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EVODEX.1-P4680

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:11]([C:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([C:23](=[O:24])[O:25][H:41])[H:42])[H:40])=[O:9])([H:38])[H:39])[H:37])N([H])[H]):C([H]):C:1[H]>>[H][N:11]([C:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([C:23](=[O:24])[O:25][H:41])[H:42])[H:40])=[O:9])([H:38])[H:39])[H:37]

Derived Operators

EVODEX.1-F197 - Elemental Balance

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

EVODEX.1-M177 - Mass Difference

-147.06847

EVODEX.1-E897 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:22](-[#6@:14])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H:68]>>[#7:22](-[#6@:14])(-[H:68])-[H]

EVODEX.1-C560 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:12]

EVODEX.1-N713 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:61])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:12](-[#6@@:13])-[H:61]

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-R5500

Full Reaction Rendering

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