EVODEX.1-P2290 - Partial Reaction

SMIRKS

[H][O:4][C@@:3]([C:2](=[O:1])[H:54])([C@@:5]([O:6][H:46])([C@:7]([O:8][H:47])([C:9]([O:10][H:48])([H:49])[H:50])[H:51])[H:52])[H:53]>>[H]OC([H])([H])[C@@]1([O:4][C@@:3]([C:2](=[O:1])[H:54])([C@@:5]([O:6][H:46])([C@:7]([O:8][H:47])([C:9]([O:10][H:48])([H:49])[H:50])[H:51])[H:52])[H:53])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-R3020

[H][O:4][C@@:3]([C:2](=[O:1])[H:54])([C@@:5]([O:6][H:46])([C@:7]([O:8][H:47])([C:9]([O:10][H:48])([H:49])[H:50])[H:51])[H:52])[H:53].[O:11]([C:12]([C@@:13]1([H:55])[O:14][C@@:15]([O:16][C:17]([C@@:18]2([H:56])[O:19][C@@:20]([O:21][C@:22]3([C:23]([O:24][H:57])([H:58])[H:59])[O:25][C@@:26]([C:27]([O:28][H:60])([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]([O:34][H:69])([H:70])[C@:35]([O:36][H:71])([H:72])[C@@:37]2([O:38][H:73])[H:74])([H:75])[H:76])([H:77])[C@@:39]([O:40][H:78])([H:79])[C@:41]([O:42][H:80])([H:81])[C@:43]1([O:44][H:82])[H:83])([H:84])[H:85])[H:86]>>[O:1]=[C:2]([C@:3]([O:4][C@:22]1([C:23]([O:24][H:57])([H:58])[H:59])[O:25][C@@:26]([C:27]([O:28][H:60])([H:61])[H:62])([H:63])[C@:29]([O:30][H:64])([H:65])[C@@:31]1([O:32][H:66])[H:67])([C@@:5]([O:6][H:46])([C@:7]([O:8][H:47])([C:9]([O:10][H:48])([H:49])[H:50])[H:51])[H:52])[H:53])[H:54].[H][O:21][C@@:20]1([H:68])[O:19][C@@:18]([C:17]([O:16][C@@:15]2([H:77])[O:14][C@@:13]([C:12]([O:11][H:86])([H:84])[H:85])([H:55])[C@@:43]([O:44][H:82])([H:83])[C@@:41]([O:42][H:80])([H:81])[C@:39]2([O:40][H:78])[H:79])([H:75])[H:76])([H:56])[C@:37]([O:38][H:73])([H:74])[C@@:35]([O:36][H:71])([H:72])[C@:33]1([O:34][H:69])[H:70]