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EVODEX.1-P4636

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])[H:45])N([H])[H]):C([H]):N:2[H]>>[H][N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])[H:45]

Derived Operators

EVODEX.1-F203 - Elemental Balance

O-1
C-11
N-2
H-10

EVODEX.1-M128 - Mass Difference

-186.0794

EVODEX.1-E905 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:18](-[#6@:13])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])-[H:60]>>[#7:18](-[#6@:13])(-[H:60])-[H]

EVODEX.1-C513 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:3])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H]>>[H]-[#7:3]

EVODEX.1-N646 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:3](-[#6@@:2])-[H:33])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H]>>[H]-[#7:3](-[#6@@:2])-[H:33]

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-R5460

Full Reaction Rendering

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