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EVODEX.1-P4121

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:10][C:11]([C@:12]2([H:37])[O:13][C@@:14]([O:15][C:16]3:[C:17]([H:38]):[N:18]([H:39]):[C:19]4:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:3:4)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]2([O:30][H:45])[H:46])([H:47])[H:48]):C([H]):C:1OC([H])([H])[H]>>[H][O:10][C:11]([C@:12]1([H:37])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:38]):[N:18]([H:39]):[C:19]3:[C:20]([H:40]):[C:21]([H:41]):[C:22]([Br:23]):[C:24]([Cl:25]):[C:26]:2:3)([H:42])[C@@:27]([O:28][H:43])([H:44])[C@:29]1([O:30][H:45])[H:46])([H:47])[H:48]

Derived Operators

EVODEX.1-F231 - Elemental Balance

O-3
C-10
H-8

EVODEX.1-M48 - Mass Difference

-176.04734

EVODEX.1-E949 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#8]-[#6]1:[#6](-[H]):[#6](-[#6](=[#6](-[#6](=[#8])-[#8:10]-[#6:11])-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H]>>[#8:10](-[#6:11])-[H]

EVODEX.1-C112 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:10]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8:10]

EVODEX.1-N315 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:10]-[#6:11]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8:10]-[#6:11]

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-R4962

Full Reaction Rendering

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