EVODEX.1-P4381 - Partial Reaction

SMIRKS

[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])([O:5][C@:6]2([H:42])[C:7]([H:43])([H:44])[O:8][C@:9]([O:10][C@:11]3([H:45])[C:12]([H:46])([H:47])[O:13][C@:14]([O:15][C@:16]4([H:48])[C:17]([H:49])([H:50])[O:18][C@:19]([O:20][H:51])([H:52])[C@@:21]([O:22][H:53])([H:54])[C@:23]4([O:24][H:55])[H:56])([H:57])[C@@:25]([O:26][H:58])([H:59])[C@:27]3([O:28][H:60])[H:61])([H:62])[C@@:29]([O:30][H:63])([H:64])[C@:31]2([O:32][H:65])[H:66])OC([H])([H])[C@]1([H])O[H]>>[H][O:5][C@:6]1([H:42])[C:7]([H:43])([H:44])[O:8][C@:9]([O:10][C@:11]2([H:45])[C:12]([H:46])([H:47])[O:13][C@:14]([O:15][C@:16]3([H:48])[C:17]([H:49])([H:50])[O:18][C@:19]([O:20][H:51])([H:52])[C@@:21]([O:22][H:53])([H:54])[C@:23]3([O:24][H:55])[H:56])([H:57])[C@@:25]([O:26][H:58])([H:59])[C@:27]2([O:28][H:60])[H:61])([H:62])[C@@:29]([O:30][H:63])([H:64])[C@:31]1([O:32][H:65])[H:66]

Derived Operators

EVODEX.1-F144 - Elemental Balance

O	-4
C	-5
H	-8

EVODEX.1-M115 - Mass Difference

-132.04224

EVODEX.1-E802 - Reaction Operator E

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

EVODEX.1-C535 - Reaction Operator C

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

EVODEX.1-N683 - Reaction Operator N

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

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-R5219

[H][O:1][H:39].[O:2]([C@:3]1([H:41])[C@:4]([O:5][C@:6]2([H:42])[C:7]([H:43])([H:44])[O:8][C@:9]([O:10][C@:11]3([H:45])[C:12]([H:46])([H:47])[O:13][C@:14]([O:15][C@:16]4([H:48])[C:17]([H:49])([H:50])[O:18][C@:19]([O:20][H:51])([H:52])[C@@:21]([O:22][H:53])([H:54])[C@:23]4([O:24][H:55])[H:56])([H:57])[C@@:25]([O:26][H:58])([H:59])[C@:27]3([O:28][H:60])[H:61])([H:62])[C@@:29]([O:30][H:63])([H:64])[C@:31]2([O:32][H:65])[H:66])([H:67])[O:33][C:34]([H:68])([H:69])[C@@:35]([O:36][H:70])([H:71])[C@:37]1([O:38][H:72])[H:73])[H:74]>>[O:1]([C:4]1([H:67])[C@@:3]([O:2][H:74])([H:41])[C@:37]([O:38][H:72])([H:73])[C@@:35]([O:36][H:70])([H:71])[C:34]([H:68])([H:69])[O:33]1)[H:39].[H][O:5][C@:6]1([H:42])[C:7]([H:43])([H:44])[O:8][C@:9]([O:10][C@:11]2([H:45])[C:12]([H:46])([H:47])[O:13][C@:14]([O:15][C@:16]3([H:48])[C:17]([H:49])([H:50])[O:18][C@:19]([O:20][H:51])([H:52])[C@@:21]([O:22][H:53])([H:54])[C@:23]3([O:24][H:55])[H:56])([H:57])[C@@:25]([O:26][H:58])([H:59])[C@:27]2([O:28][H:60])[H:61])([H:62])[C@@:29]([O:30][H:63])([H:64])[C@:31]1([O:32][H:65])[H:66]