EVODEX.1-P2447 - Partial Reaction

SMIRKS

[H][O:48][C@:47]1([H:88])[C@:19]([C:18]([O:17][H:91])([H:89])[H:90])([H:62])[O:20][C@:21]([O:22][C@:23]2([H:63])[C:24]([H:64])([H:65])[O:25][C@:26]([O:27][C@@:28]3([H:66])[C@@:29]([O:30][H:67])([H:68])[C@:31]([O:32][H:69])([H:70])[C@@:33]([O:34][H:71])([H:72])[O:35][C@@:36]3([C:37]([O:38][H:73])([H:74])[H:75])[H:76])([H:77])[C@@:39]([O:40][H:78])([H:79])[C@:41]2([O:42][H:80])[H:81])([H:82])[C@@:43]([O:44][H:83])([H:84])[C@:45]1([O:46][H:85])[H:86]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:48][C@:47]2([H:88])[C@:19]([C:18]([O:17][H:91])([H:89])[H:90])([H:62])[O:20][C@:21]([O:22][C@:23]3([H:63])[C:24]([H:64])([H:65])[O:25][C@:26]([O:27][C@@:28]4([H:66])[C@@:29]([O:30][H:67])([H:68])[C@:31]([O:32][H:69])([H:70])[C@@:33]([O:34][H:71])([H:72])[O:35][C@@:36]4([C:37]([O:38][H:73])([H:74])[H:75])[H:76])([H:77])[C@@:39]([O:40][H:78])([H:79])[C@:41]3([O:42][H:80])[H:81])([H:82])[C@@:43]([O:44][H:83])([H:84])[C@:45]2([O:46][H:85])[H:86])[C@]([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-E531 - Reaction Operator E

[#8:17]-[#6@:18](-[H:58])(-[#6@:19])-[#6@@:43](-[#6:42])(-[#8:44]-[H])-[H:82]>>[#8:44](-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[#6@@:43](-[H:82])(-[#6@@:18](-[#8:17])(-[H:58])-[#6@:19])-[#6:42]

EVODEX.1-C24 - Reaction Operator C

[H]-[#8:20]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N9 - Reaction Operator N

[H]-[#8:48]-[#6@:47]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:48]-[#6@:47])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em12 - Reaction Operator Em

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

EVODEX.1-Cm7 - Reaction Operator Cm

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

EVODEX.1-Nm16 - Reaction Operator Nm

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

Source Full Reactions

EVODEX.1-R3191

[O:1]=[P:2]([O:3][H:49])([O:4][H:50])[O:5][C@@:6]1([H:51])[O:7][C@@:8]([C:9]([O:10][H:52])([H:53])[H:54])([H:55])[C@:11]([O:12][H:56])([H:57])[C@@:13]([O:14][H:58])([H:59])[C@:15]1([O:16][H:60])[H:61].[H][O:48][C@:47]1([H:88])[C@:19]([C:18]([O:17][H:91])([H:89])[H:90])([H:62])[O:20][C@:21]([O:22][C@:23]2([H:63])[C:24]([H:64])([H:65])[O:25][C@:26]([O:27][C@@:28]3([H:66])[C@@:29]([O:30][H:67])([H:68])[C@:31]([O:32][H:69])([H:70])[C@@:33]([O:34][H:71])([H:72])[O:35][C@@:36]3([C:37]([O:38][H:73])([H:74])[H:75])[H:76])([H:77])[C@@:39]([O:40][H:78])([H:79])[C@:41]2([O:42][H:80])[H:81])([H:82])[C@@:43]([O:44][H:83])([H:84])[C@:45]1([O:46][H:85])[H:86]>>[C@@:6]1([O:48][C@:47]2([H:88])[C@:19]([C:18]([O:17][H:91])([H:89])[H:90])([H:62])[O:20][C@:21]([O:22][C@:23]3([H:63])[C:24]([H:64])([H:65])[O:25][C@:26]([O:27][C@@:28]4([H:66])[C@@:29]([O:30][H:67])([H:68])[C@:31]([O:32][H:69])([H:70])[C@@:33]([O:34][H:71])([H:72])[O:35][C@@:36]4([C:37]([O:38][H:73])([H:74])[H:75])[H:76])([H:77])[C@@:39]([O:40][H:78])([H:79])[C@:41]3([O:42][H:80])[H:81])([H:82])[C@@:43]([O:44][H:83])([H:84])[C@:45]2([O:46][H:85])[H:86])([H:51])[O:7][C@@:8]([C:9]([O:10][H:52])([H:53])[H:54])([H:55])[C@:11]([O:12][H:56])([H:57])[C@@:13]([O:14][H:58])([H:59])[C@:15]1([O:16][H:60])[H:61].[H][O:5][P:2](=[O:1])([O:3][H:49])[O:4][H:50]