EVODEX.1-P4339 - Partial Reaction

SMIRKS

[H]OC(=O)[C@]1([H])O[C@]([H])([O:9][C@@:10]2([H:39])[C@@:11]([O:12][C@:13]3([H:40])[C:14]([H:41])([H:42])[O:15][C@:16]([O:17][H:43])([H:44])[C@@:18]([O:19][H:45])([H:46])[C@:20]3([O:21][H:47])[H:48])([H:49])[O:22][C:23]([H:50])([H:51])[C@:24]([O:25][H:52])([H:53])[C@@:26]2([O:27][H:54])[H:55])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])OC([H])([H])[H]>>[H][O:9][C@@:10]1([H:39])[C@@:11]([O:12][C@:13]2([H:40])[C:14]([H:41])([H:42])[O:15][C@:16]([O:17][H:43])([H:44])[C@@:18]([O:19][H:45])([H:46])[C@:20]2([O:21][H:47])[H:48])([H:49])[O:22][C:23]([H:50])([H:51])[C@:24]([O:25][H:52])([H:53])[C@@:26]1([O:27][H:54])[H:55]

Derived Operators

EVODEX.1-F467 - Elemental Balance

C	-7
O	-6
H	-10

EVODEX.1-M448 - Mass Difference

-190.0477

EVODEX.1-E1278 - Reaction Operator E

[#6](-[#8]-[#6@@]1(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@](-[#8:9]-[#6@@:10])(-[H])-[#8]-[#6@@]-1(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#8:9](-[#6@@:10])-[H]

EVODEX.1-C528 - Reaction Operator C

[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:9])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8:9]

EVODEX.1-N672 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:9]-[#6@@:10])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8:9]-[#6@@:10]

EVODEX.1-Em15 - Reaction Operator Em

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

EVODEX.1-Cm8 - Reaction Operator Cm

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

EVODEX.1-Nm18 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5183

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