EVODEX.1-P4468 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C:10]([C@@:9]2([H:44])[O:8][C:6]([O:7][H:29])([H:30])[C@@:5]([N:4]([C:2]([C:1]([H:50])([H:51])[H:52])=[O:3])[H:49])([H:28])[C@:25]([O:26][H:47])([H:48])[C@@:23]2([O:24][H:45])[H:46])([H:42])[H:43])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:27][H:53]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:28])[C:6]([O:7][H:29])([H:30])[O:8][C@@:9]([C:10]([O:27][H:53])([H:42])[H:43])([H:44])[C@:23]([O:24][H:45])([H:46])[C@@:25]1([O:26][H:47])[H:48])[H:49])([H:50])([H:51])[H:52]

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-C1403 - Reaction Operator C

([H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#6:10])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[#6@:25]-[#6@@:23]).[H]-[#8:27]>>([#6:10]-[#8:27].[#6@:23]-[#6@@:25])

EVODEX.1-N1785 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#6:10](-[#6@@:9]-[#6@:23](-[#6@@:25](-[#6@@:5])(-[#8:26])-[H:48])(-[#8:24])-[H:46])(-[H:42])-[H:43])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:27]-[H:53]>>[#6:10](-[#6@@:9]-[#6@:23](-[#8:24])(-[H:46])-[#6@@:25](-[#6@@:5])(-[#8:26])-[H:48])(-[#8:27]-[H:53])(-[H:42])-[H:43]

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-R5311

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:28])[C:6]([O:7][H:29])([H:30])[O:8][C@@:9]([C:10]([O:11][C@@:12]2([H:31])[O:13][C@@:14]([C:15]([O:16][H:32])([H:33])[H:34])([H:35])[C@:17]([O:18][H:36])([H:37])[C@@:19]([O:20][H:38])([H:39])[C@@:21]2([O:22][H:40])[H:41])([H:42])[H:43])([H:44])[C@:23]([O:24][H:45])([H:46])[C@@:25]1([O:26][H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:27][H:53]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:28])[C:6]([O:7][H:29])([H:30])[O:8][C@@:9]([C:10]([O:27][H:53])([H:42])[H:43])([H:44])[C@:23]([O:24][H:45])([H:46])[C@@:25]1([O:26][H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:11][C@@:12]1([H:31])[O:13][C@@:14]([C:15]([O:16][H:32])([H:33])[H:34])([H:35])[C@:17]([O:18][H:36])([H:37])[C@@:19]([O:20][H:38])([H:39])[C@@:21]1([O:22][H:40])[H:41]