EVODEX.1-P4488 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C:19]([C:18]([C:16]([C:15](=[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:84])([H:85])[H:86])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])[H:59])[H:58])([O:17][H:36])[H:57])([N:32]([C:33]([C:34]([H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56])([H:48])[H:49])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:35][H:87]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16]([O:17][H:36])([C:18]([C:19]([O:35][H:87])([H:48])[H:49])([N:32]([C:33]([C:34]([H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56])[H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])([H:85])[H:86]

Derived Operators

EVODEX.1-F359 - Elemental Balance

O	-6
C	-6
H	-12

EVODEX.1-M41 - Mass Difference

-180.06336000000002

EVODEX.1-E1095 - Reaction Operator E

[#6:6](-[#6@@:5])(-[#8]-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H:38])-[H:39].[#8:25](-[H:50])-[H]>>[#6:6](-[#6@@:5])(-[#8:25]-[H:50])(-[H:38])-[H:39]

EVODEX.1-C45 - Reaction Operator C

[H]-[#8]-[#6](-[H])(-[H])-[#6]1(-[H])-[#8]-[#6](-[H])(-[#8]-[#6:20])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[#8]-[H])-[#6]-1(-[H])-[#8]-[H].[H]-[#8:50]>>[#6:20]-[#8:50]

EVODEX.1-N1132 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6]1(-[H])-[#8]-[#6](-[H])(-[#8]-[#6:20](-[#6:19])(-[H:62])-[H:63])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[#8]-[H])-[#6]-1(-[H])-[#8]-[H].[H]-[#8:50]-[H:130]>>[#6:19]-[#6:20](-[#8:50]-[H:130])(-[H:62])-[H:63]

EVODEX.1-Em69 - Reaction Operator Em

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

EVODEX.1-Cm6 - Reaction Operator Cm

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm83 - Reaction Operator Nm

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

Source Full Reactions

EVODEX.1-R5327

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