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EVODEX.1-P4699

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@@]([H])(C(=O)[N:8]([C@@:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])([C:20]([C:21]([H:43])([H:44])[H:45])([C:22]([H:46])([H:47])[H:48])[H:49])[H:50])[H:51])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:8]([C@@:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])([C:20]([C:21]([H:43])([H:44])[H:45])([C:22]([H:46])([H:47])[H:48])[H:49])[H:50])[H:51]

Derived Operators

EVODEX.1-F257 - Elemental Balance

O-1
C-5
N-1
H-9

EVODEX.1-M179 - Mass Difference

-99.06847

EVODEX.1-E971 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:8](-[#6@@:9])-[H:36])-[H])-[H])(-[H])(-[H])-[H]>>[#7:8](-[#6@@:9])(-[H:36])-[H]

EVODEX.1-C511 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N643 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:8](-[#6@@:9])-[H:51])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:8](-[#6@@:9])-[H:51]

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-R5518

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:31])([H:32])[H:33])([C@@:4]([N:5]([H:34])[H:35])([C:6](=[O:7])[N:8]([C@@:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])([C:20]([C:21]([H:43])([H:44])[H:45])([C:22]([H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:23][C:24]([C:25]1:[C:26]([H:57]):[C:27]([H:58]):[C:28]([H:59]):[C:29]([H:60]):[C:30]:1[H:61])([H:62])[H:63]>>[C:1]([C:2]([C:3]([H:31])([H:32])[H:33])([C@@:4]([N:5]([H:34])[H:35])([C:6](=[O:7])[O:23][C:24]([C:25]1:[C:26]([H:57]):[C:27]([H:58]):[C:28]([H:59]):[C:29]([H:60]):[C:30]:1[H:61])([H:62])[H:63])[H:52])[H:53])([H:54])([H:55])[H:56].[H][N:8]([C@@:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])([C:20]([C:21]([H:43])([H:44])[H:45])([C:22]([H:46])([H:47])[H:48])[H:49])[H:50])[H:51]