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EVODEX.1-P4331

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])O[C@]([H])([O:11][C:12]([C@:13]2([O:14][H:32])[O:15][C@@:16]([C:17]([O:18][H:33])([H:34])[H:35])([H:36])[C@:19]([O:20][H:37])([H:38])[C@@:21]2([O:22][H:39])[H:40])([H:41])[H:42])[C@]1([H])O[H]>>[H][O:11][C:12]([C@:13]1([O:14][H:32])[O:15][C@@:16]([C:17]([O:18][H:33])([H:34])[H:35])([H:36])[C@:19]([O:20][H:37])([H:38])[C@@:21]1([O:22][H:39])[H:40])([H:41])[H:42]

Derived Operators

EVODEX.1-F463 - Elemental Balance

C-6
P-1
O-8
H-11

EVODEX.1-M444 - Mass Difference

-242.01913

EVODEX.1-E1274 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#8:11]-[#6@:12])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:11](-[#6@:12])-[H]

EVODEX.1-C527 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:11])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:11]

EVODEX.1-N671 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:11]-[#6@:12])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:11]-[#6@:12]

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-R5176

Full Reaction Rendering

[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]([C@:13]2([O:14][H:32])[O:15][C@@:16]([C:17]([O:18][H:33])([H:34])[H:35])([H:36])[C@:19]([O:20][H:37])([H:38])[C@@:21]2([O:22][H:39])[H:40])([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]([C@:13]1([O:14][H:32])[O:15][C@@:16]([C:17]([O:18][H:33])([H:34])[H:35])([H:36])[C@:19]([O:20][H:37])([H:38])[C@@:21]1([O:22][H:39])[H:40])([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]