EVODEX.1-P4495 - Partial Reaction

SMIRKS

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

Derived Operators

EVODEX.1-F395 - Elemental Balance

O	-4
C	-6
H	-10

EVODEX.1-M391 - Mass Difference

-146.05790000000002

EVODEX.1-E1200 - Reaction Operator E

[#6](-[#6@]1(-[H])-[#8]-[#6@](-[#8:5]-[#6:6])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#8:5](-[#6:6])-[H]

EVODEX.1-C539 - Reaction Operator C

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8:5])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:5]

EVODEX.1-N688 - Reaction Operator N

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8:5]-[#6@@:6])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:5]-[#6@@:6]

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-R5334

[C:1]([C@@:2]1([H:35])[O:3][C@@:4]([O:5][C@@:6]2([H:36])[C@:7]([O:8][H:37])([H:38])[C@:9]([C:10]([O:11][H:39])([H:40])[H:41])([H:42])[O:12][C@:13]([O:14][C@:15]3([H:43])[C@:16]([O:17][H:44])([H:45])[C@@:18]([O:19][H:46])([H:47])[C@@:20]([O:21][H:48])([H:49])[O:22][C@:23]3([C:24]([O:25][H:50])([H:51])[H:52])[H:53])([H:54])[C@@:26]2([O:27][H:55])[H:56])([H:57])[C@@:28]([O:29][H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@:32]1([O:33][H:62])[H:63])([H:64])([H:65])[H:66].[H][O:34][H:67]>>[C:1]([C@@:2]1([H:35])[O:3][C@@:4]([O:34][H:67])([H:57])[C@@:28]([O:29][H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@:32]1([O:33][H:62])[H:63])([H:64])([H:65])[H:66].[H][O:5][C@@:6]1([H:36])[C@:7]([O:8][H:37])([H:38])[C@:9]([C:10]([O:11][H:39])([H:40])[H:41])([H:42])[O:12][C@:13]([O:14][C@:15]2([H:43])[C@:16]([O:17][H:44])([H:45])[C@@:18]([O:19][H:46])([H:47])[C@@:20]([O:21][H:48])([H:49])[O:22][C@:23]2([C:24]([O:25][H:50])([H:51])[H:52])[H:53])([H:54])[C@@:26]1([O:27][H:55])[H:56]