EVODEX.1-P4341 - Partial Reaction

SMIRKS

[H]OC(=O)[C@@]1([H])O[C@]([H])([O:9][C@@:10]2([H:57])[C@@:11]([O:12][C@:13]3([H:58])[C:14]([H:59])([H:60])[O:15][C@:16]([O:17][C@:18]4([H:61])[C:19]([H:62])([H:63])[O:20][C@:21]([O:22][H:64])([H:65])[C@@:23]([O:24][H:66])([H:67])[C@:25]4([O:26][H:68])[H:69])([H:70])[C@@:27]([O:28][H:71])([H:72])[C@:29]3([O:30][H:73])[H:74])([H:75])[O:31][C:32]([H:76])([H:77])[C@:33]([O:34][C@:35]3([H:78])[O:36][C:37]([H:79])([H:80])[C@:38]([O:39][H:81])([H:82])[C@@:40]([O:41][H:83])([H:84])[C@:42]3([O:43][H:85])[H:86])([H:87])[C@@:44]2([O:45][H:88])[H:89])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OC([H])([H])[H]>>[H][O:9][C@@:10]1([H:57])[C@@:11]([O:12][C@:13]2([H:58])[C:14]([H:59])([H:60])[O:15][C@:16]([O:17][C@:18]3([H:61])[C:19]([H:62])([H:63])[O:20][C@:21]([O:22][H:64])([H:65])[C@@:23]([O:24][H:66])([H:67])[C@:25]3([O:26][H:68])[H:69])([H:70])[C@@:27]([O:28][H:71])([H:72])[C@:29]2([O:30][H:73])[H:74])([H:75])[O:31][C:32]([H:76])([H:77])[C@:33]([O:34][C@:35]2([H:78])[O:36][C:37]([H:79])([H:80])[C@:38]([O:39][H:81])([H:82])[C@@:40]([O:41][H:83])([H:84])[C@:42]2([O:43][H:85])[H:86])([H:87])[C@@:44]1([O:45][H:88])[H:89]

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-R5185

[C:1]([O:2][C@@:3]1([H:52])[C@@:4]([O:5][H:53])([H:54])[C@:6]([O:7][H:55])([H:56])[C@:8]([O:9][C@@:10]2([H:57])[C@@:11]([O:12][C@:13]3([H:58])[C:14]([H:59])([H:60])[O:15][C@:16]([O:17][C@:18]4([H:61])[C:19]([H:62])([H:63])[O:20][C@:21]([O:22][H:64])([H:65])[C@@:23]([O:24][H:66])([H:67])[C@:25]4([O:26][H:68])[H:69])([H:70])[C@@:27]([O:28][H:71])([H:72])[C@:29]3([O:30][H:73])[H:74])([H:75])[O:31][C:32]([H:76])([H:77])[C@:33]([O:34][C@:35]3([H:78])[O:36][C:37]([H:79])([H:80])[C@:38]([O:39][H:81])([H:82])[C@@:40]([O:41][H:83])([H:84])[C@:42]3([O:43][H:85])[H:86])([H:87])[C@@:44]2([O:45][H:88])[H:89])([H:90])[O:46][C@@:47]1([C:48](=[O:49])[O:50][H:91])[H:92])([H:93])([H:94])[H:95].[H][O:51][H:96]>>[C:1]([O:2][C@@:3]1([H:52])[C@@:4]([O:5][H:53])([H:54])[C@:6]([O:7][H:55])([H:56])[C@:8]([O:51][H:96])([H:90])[O:46][C@@:47]1([C:48](=[O:49])[O:50][H:91])[H:92])([H:93])([H:94])[H:95].[H][O:9][C@@:10]1([H:57])[C@@:11]([O:12][C@:13]2([H:58])[C:14]([H:59])([H:60])[O:15][C@:16]([O:17][C@:18]3([H:61])[C:19]([H:62])([H:63])[O:20][C@:21]([O:22][H:64])([H:65])[C@@:23]([O:24][H:66])([H:67])[C@:25]3([O:26][H:68])[H:69])([H:70])[C@@:27]([O:28][H:71])([H:72])[C@:29]2([O:30][H:73])[H:74])([H:75])[O:31][C:32]([H:76])([H:77])[C@:33]([O:34][C@:35]2([H:78])[O:36][C:37]([H:79])([H:80])[C@:38]([O:39][H:81])([H:82])[C@@:40]([O:41][H:83])([H:84])[C@:42]2([O:43][H:85])[H:86])([H:87])[C@@:44]1([O:45][H:88])[H:89]