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EVODEX.1-P4806

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:12]([C@@:13]([C:14]([C:15]2:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:2[H:47])([H:48])[H:49])([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]2:[C:27]([H:50]):[C:28]([H:51]):[C:29]([H:52]):[C:30]([H:53]):[C:31]:2[H:54])([H:55])[H:56])([C:32](=[O:33])[O:34][H:57])[H:58])[H:59])[H:60])[H:61])N([H])[H]):C([H]):C:1[H]>>[H][N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:1[H:47])([H:48])[H:49])([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]1:[C:27]([H:50]):[C:28]([H:51]):[C:29]([H:52]):[C:30]([H:53]):[C:31]:1[H:54])([H:55])[H:56])([C:32](=[O:33])[O:34][H:57])[H:58])[H:59])[H:60])[H:61]

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-R5607

Full Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:36]):[C:6]([H:37]):[C:7]([H:38]):[C:8]([H:39]):[C:9]:1[H:40])([H:41])[H:42])([C:10](=[O:11])[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:1[H:47])([H:48])[H:49])([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]1:[C:27]([H:50]):[C:28]([H:51]):[C:29]([H:52]):[C:30]([H:53]):[C:31]:1[H:54])([H:55])[H:56])([C:32](=[O:33])[O:34][H:57])[H:58])[H:59])[H:60])[H:61])[H:62])([H:63])[H:64].[H][O:35][H:65]>>[H][N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:1[H:47])([H:48])[H:49])([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]1:[C:27]([H:50]):[C:28]([H:51]):[C:29]([H:52]):[C:30]([H:53]):[C:31]:1[H:54])([H:55])[H:56])([C:32](=[O:33])[O:34][H:57])[H:58])[H:59])[H:60])[H:61].[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:36]):[C:6]([H:37]):[C:7]([H:38]):[C:8]([H:39]):[C:9]:1[H:40])([H:41])[H:42])([C:10](=[O:11])[O:35][H:65])[H:62])([H:63])[H:64]