Acetic Acid → HCID 68525586, compound
Reaction equation
[C:21]([OH:22])(=[O:23])[CH3:24].[C:4]([O:5][BH-:6]([O:7][C:8](=[O:9])[CH3:10])[O:11][C:12](=[O:13])[CH3:14])(=[O:15])[CH3:16].[CH:1]([CH3:2])=[O:3].[Cl:18][CH2:19][Cl:20].[Cl:25][c:26]1[c:27](-[c:34]2[n:35][n:36]3[c:37]([c:38](=[O:41])[n:39]2[CH3:40])[c:42]([NH:46][CH2:47][CH3:48])[cH:43][c:44]3[CH3:45])[cH:28][cH:29][c:30]([O:32][CH3:33])[cH:31]1.[Na+:17].[OH2:49]>>[CH2:1]([CH3:2])[N:46]([c:42]1[c:37]2[n:36]([n:35][c:34](-[c:27]3[c:26]([Cl:25])[cH:31][c:30]([O:32][CH3:33])[cH:29][cH:28]3)[n:39]([CH3:40])[c:38]2=[O:41])[c:44]([CH3:45])[cH:43]1)[CH2:47][CH3:48]Participants
8
Sources & evidence
- ORD record
- ord-82c51748fee247c2a730ff9f321ddc2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…