EVODEX.1-P4351 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])OC([H])([O:7][C:8]2:[C:9]([H:41]):[C:10]([H:42]):[C:11]3:[C:12]([C:13]([H:43])([H:44])[H:45]):[C:14]([H:46]):[C:15](=[O:16]):[O:17]:[C:18]:3:[C:19]:2[H:47])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]1([H])O[H]>>[H][O:7][C:8]1:[C:9]([H:41]):[C:10]([H:42]):[C:11]2:[C:12]([C:13]([H:43])([H:44])[H:45]):[C:14]([H:46]):[C:15](=[O:16]):[O:17]:[C:18]:2:[C:19]:1[H:47]

Derived Operators

EVODEX.1-F393 - Elemental Balance

C	-14
O	-10
N	-1
H	-23

EVODEX.1-M389 - Mass Difference

-365.13219

EVODEX.1-E1198 - Reaction Operator E

[#6](-[#6](=[#8])-[#7](-[#6@@]1(-[H])-[#6@](-[#8:7]-[#6:8])(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#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])-[H])(-[H])(-[H])-[H]>>[#8:7](-[#6:8])-[H]

EVODEX.1-C376 - Reaction Operator C

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@](-[H])(-[#8:7])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]

EVODEX.1-N446 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@](-[H])(-[#8:7]-[#6:8])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]-[#6:8]

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-R5194

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