EVODEX.1-P2344 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@]([H])([O:15][C@@:14]2([H:50])[O:13][C@@:12]([C:11]([O:10][P:7](=[O:6])([O:8][H:36])[O:9][H:37])([H:57])[H:58])([H:38])[C@:31]([O:32][H:55])([H:56])[C@@:29]([O:30][H:53])([H:54])[C@:27]2([O:28][H:51])[H:52])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:15][C:14]1([H:50])[O:13][C@@:12]([C:11]([O:10][P:7](=[O:6])([O:8][H:36])[O:9][H:37])([H:57])[H:58])([H:38])[C@:31]([O:32][H:55])([H:56])[C@@:29]([O:30][H:53])([H:54])[C@:27]1([O:28][H:51])[H:52]

Derived Operators

EVODEX.1-F43 - Elemental Balance

O	-5
C	-6
H	-10

EVODEX.1-M30 - Mass Difference

-162.0528

EVODEX.1-E522 - Reaction Operator E

[#6:3]-[#6@@:4](-[#8:5]-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H:50])-[#8:17]>>[#6:3]-[#6:4](-[#8:5]-[H])(-[H:50])-[#8:17]

EVODEX.1-C168 - Reaction Operator C

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

EVODEX.1-N455 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@:4](-[H:37])(-[#6:3])-[#8:17])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8]-[#6@@:4](-[H:37])(-[#6:3])-[#8:17]

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-R3068

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

EVODEX.1-R5368

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