EVODEX.1-P2239 - Partial Reaction

SMIRKS

[H][O:2][C:1]([H:27])([H:28])[H:29]>>[H]OC([H])([H])[C@@]1([O:2][C:1]([H:27])([H:28])[H:29])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F44 - Elemental Balance

O	5
C	6
H	10

EVODEX.1-M15 - Mass Difference

162.0528

EVODEX.1-E528 - Reaction Operator E

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

EVODEX.1-C375 - Reaction Operator C

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

EVODEX.1-N445 - Reaction Operator N

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

EVODEX.1-Em98 - Reaction Operator Em

[H]-[#8:63]-[#6:62]>>[#6]-[#6](-[#8:63]-[#6:62])(-[#8])-[#6]

EVODEX.1-Cm7 - Reaction Operator Cm

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm131 - Reaction Operator Nm

[H]-[#8:63]-[#6:62]>>[#6]-[#6](-[#8:63]-[#6:62])(-[#8])-[#6]

Source Full Reactions

EVODEX.1-R2969

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