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EVODEX.1-P2093

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:31])([H:32])[H:33])[C:4]([H:34])([H:35])[H:36])([H:46])[H:47])([H:44])[H:45]):C([H]):C:1[H]>>[H][O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:31])([H:32])[H:33])[C:4]([H:34])([H:35])[H:36])([H:46])[H:47])([H:44])[H:45]

Derived Operators

EVODEX.1-F229 - Elemental Balance

O-2
C-9
H-6

EVODEX.1-M291 - Mass Difference

-146.03678

EVODEX.1-E945 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])-[H])-[H])-[#8:13]-[#6:14]>>[#8:13](-[#6:14])-[H]

EVODEX.1-C281 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N316 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em93 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]=[#6]-[#6](=[#8])-[#8:10]-[#6:11]>>[H]-[#8:10]-[#6:11]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R2851

Full Reaction Rendering

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

EVODEX.1-R4912

Full Reaction Rendering

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