EVODEX.1-P2289 - Partial Reaction

SMIRKS

[H][O:6][C@:5]1([H:81])[C:4]([H:78])([H:79])[O:3][C:2]([O:1][H:86])([H:77])[C@@:9]([O:10][H:84])([H:85])[C@:7]1([O:8][H:82])[H:83]>>[H]OC([H])([H])[C@@]1([O:6][C@:5]2([H:81])[C:4]([H:78])([H:79])[O:3][C:2]([O:1][H:86])([H:77])[C@@:9]([O:10][H:84])([H:85])[C@:7]2([O:8][H:82])[H:83])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-R3019

[O:11]([C:12]([C@@:13]1([H:45])[O:14][C@@:15]([O:16][C:17]([C@@:18]2([H:46])[O:19][C@@:20]([O:21][C@:22]3([C:23]([O:24][H:47])([H:48])[H:49])[O:25][C@@:26]([C:27]([O:28][H:50])([H:51])[H:52])([H:53])[C@:29]([O:30][H:54])([H:55])[C@@:31]3([O:32][H:56])[H:57])([H:58])[C@@:33]([O:34][H:59])([H:60])[C@:35]([O:36][H:61])([H:62])[C@@:37]2([O:38][H:63])[H:64])([H:65])[H:66])([H:67])[C@@:39]([O:40][H:68])([H:69])[C@:41]([O:42][H:70])([H:71])[C@:43]1([O:44][H:72])[H:73])([H:74])[H:75])[H:76].[H][O:6][C@:5]1([H:81])[C:4]([H:78])([H:79])[O:3][C:2]([O:1][H:86])([H:77])[C@@:9]([O:10][H:84])([H:85])[C@:7]1([O:8][H:82])[H:83]>>[H][O:21][C@@:20]1([H:58])[O:19][C@@:18]([C:17]([O:16][C@@:15]2([H:67])[O:14][C@@:13]([C:12]([O:11][H:76])([H:74])[H:75])([H:45])[C@@:43]([O:44][H:72])([H:73])[C@@:41]([O:42][H:70])([H:71])[C@:39]2([O:40][H:68])[H:69])([H:65])[H:66])([H:46])[C@:37]([O:38][H:63])([H:64])[C@@:35]([O:36][H:61])([H:62])[C@:33]1([O:34][H:59])[H:60].[O:1]([C:2]1([H:77])[O:3][C:4]([H:78])([H:79])[C@:5]([O:6][C@:22]2([C:23]([O:24][H:47])([H:48])[H:49])[O:25][C@@:26]([C:27]([O:28][H:50])([H:51])[H:52])([H:53])[C@:29]([O:30][H:54])([H:55])[C@@:31]2([O:32][H:56])[H:57])([H:81])[C@@:7]([O:8][H:82])([H:83])[C@:9]1([O:10][H:84])[H:85])[H:86]