EVODEX.1-P4344 - Partial Reaction

SMIRKS

[H]OC(=O)[C@@]1([H])O[C@]([H])([O:9][C@:10]2([H:48])[C@:11]([O:12][H:49])([H:50])[C@:13]([O:14][C@@:15]3([H:51])[O:16][C:17]([H:52])([H:53])[C@@:18]([O:19][C:20]4([H:54])[O:21][C:22]([H:55])([H:56])[C@:23]([O:24][H:57])([H:58])[C@@:25]([O:26][H:59])([H:60])[C@:27]4([O:28][H:61])[H:62])([H:63])[C@:29]([O:30][H:64])([H:65])[C@@:31]3([O:32][H:66])[H:67])([H:68])[C:33]([H:69])([H:70])[O:34][C@@:35]2([O:36][H:71])[H:72])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OC([H])([H])[H]>>[H][O:9][C@:10]1([H:48])[C@:11]([O:12][H:49])([H:50])[C@:13]([O:14][C@@:15]2([H:51])[O:16][C:17]([H:52])([H:53])[C@@:18]([O:19][C:20]3([H:54])[O:21][C:22]([H:55])([H:56])[C@:23]([O:24][H:57])([H:58])[C@@:25]([O:26][H:59])([H:60])[C@:27]3([O:28][H:61])[H:62])([H:63])[C@:29]([O:30][H:64])([H:65])[C@@:31]2([O:32][H:66])[H:67])([H:68])[C:33]([H:69])([H:70])[O:34][C@@:35]1([O:36][H:71])[H:72]

Derived Operators

EVODEX.1-F467 - Elemental Balance

C	-7
O	-6
H	-10

EVODEX.1-M448 - Mass Difference

-190.0477

EVODEX.1-E1278 - Reaction Operator E

[#6](-[#8]-[#6@@]1(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@](-[#8:9]-[#6@@:10])(-[H])-[#8]-[#6@@]-1(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#8:9](-[#6@@:10])-[H]

EVODEX.1-C528 - Reaction Operator C

[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:9])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8:9]

EVODEX.1-N672 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:9]-[#6@@:10])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8:9]-[#6@@:10]

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-R5189

[C:1]([O:2][C@@:3]1([H:43])[C@@:4]([O:5][H:44])([H:45])[C@:6]([O:7][H:46])([H:47])[C@:8]([O:9][C@:10]2([H:48])[C@:11]([O:12][H:49])([H:50])[C@:13]([O:14][C@@:15]3([H:51])[O:16][C:17]([H:52])([H:53])[C@@:18]([O:19][C:20]4([H:54])[O:21][C:22]([H:55])([H:56])[C@:23]([O:24][H:57])([H:58])[C@@:25]([O:26][H:59])([H:60])[C@:27]4([O:28][H:61])[H:62])([H:63])[C@:29]([O:30][H:64])([H:65])[C@@:31]3([O:32][H:66])[H:67])([H:68])[C:33]([H:69])([H:70])[O:34][C@@:35]2([O:36][H:71])[H:72])([H:73])[O:37][C@@:38]1([C:39](=[O:40])[O:41][H:74])[H:75])([H:76])([H:77])[H:78].[H][O:42][H:79]>>[C:1]([O:2][C@@:3]1([H:43])[C@@:4]([O:5][H:44])([H:45])[C@:6]([O:7][H:46])([H:47])[C@:8]([O:42][H:79])([H:73])[O:37][C@@:38]1([C:39](=[O:40])[O:41][H:74])[H:75])([H:76])([H:77])[H:78].[H][O:9][C@:10]1([H:48])[C@:11]([O:12][H:49])([H:50])[C@:13]([O:14][C@@:15]2([H:51])[O:16][C:17]([H:52])([H:53])[C@@:18]([O:19][C:20]3([H:54])[O:21][C:22]([H:55])([H:56])[C@:23]([O:24][H:57])([H:58])[C@@:25]([O:26][H:59])([H:60])[C@:27]3([O:28][H:61])[H:62])([H:63])[C@:29]([O:30][H:64])([H:65])[C@@:31]2([O:32][H:66])[H:67])([H:68])[C:33]([H:69])([H:70])[O:34][C@@:35]1([O:36][H:71])[H:72]