EVODEX.1-P2292 - Partial Reaction

SMIRKS

[H][O:3][C:2](=[O:1])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48]>>[H]OC([H])([H])[C@@]1([H])O[C@](C([H])([H])O[H])([O:3][C:2](=[O:1])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])[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-R3021

[H][O:3][C:2](=[O:1])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48].[O:14]([C:15]([C@@:16]1([H:49])[O:17][C@@:18]([C:19]([O:20][H:50])([H:51])[H:52])([O:21][C@@:22]2([H:53])[O:23][C@@:24]([C:25]([O:26][H:54])([H:55])[H:56])([H:57])[C@:27]([O:28][H:58])([H:59])[C@@:29]([O:30][H:60])([H:61])[C@:31]2([O:32][H:62])[H:63])[C@:33]([O:34][H:64])([H:65])[C@@:35]1([O:36][H:66])[H:67])([H:68])[H:69])[H:70]>>[O:1]=[C:2]([O:3][C@@:18]1([C:19]([O:20][H:50])([H:51])[H:52])[O:17][C@@:16]([C:15]([O:14][H:70])([H:68])[H:69])([H:49])[C@:35]([O:36][H:66])([H:67])[C@@:33]1([O:34][H:64])[H:65])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48].[H][O:21][C:22]1([H:53])[O:23][C@@:24]([C:25]([O:26][H:54])([H:55])[H:56])([H:57])[C@:27]([O:28][H:58])([H:59])[C@@:29]([O:30][H:60])([H:61])[C@:31]1([O:32][H:62])[H:63]