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EVODEX.1-P4408

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:14][C:15]2:[C:16]([H:40]):[C:17]([H:41]):[C:18]([Br:19]):[C:20]([H:42]):[C:21]:2[H:43])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]>>[H][O:14][C:15]1:[C:16]([H:40]):[C:17]([H:41]):[C:18]([Br:19]):[C:20]([H:42]):[C:21]:1[H:43]

Derived Operators

EVODEX.1-F391 - Elemental Balance

C-12
O-10
H-20

EVODEX.1-M387 - Mass Difference

-324.1056

EVODEX.1-E1196 - Reaction Operator E

Reaction Operator E SMIRKS

[#8](-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#8]-[#6@@]2(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8:14]-[#6:15])(-[H])-[#8]-[#6@@]-2(-[#6](-[#8]-[H])(-[H])-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])-[H]>>[#8:14](-[#6:15])-[H]

EVODEX.1-C373 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N443 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:14]-[#6@@:15])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:14]-[#6@@:15]

EVODEX.1-Em15 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm18 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5247

Full Reaction Rendering

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