Acetone → HCID 20381605, compound
Reaction equation
[CH3:55][C:56](=[O:57])[CH3:58].[OH2:43].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH:20][CH:21]2[CH:22]3[N:23]([CH:24]([c:29]4[n:30][n:31][n:32][n:33]4[CH2:34][c:35]4[cH:36][cH:37][c:38]([CH3:40])[o:39]4)[C:25]([CH3:27])([CH3:28])[S:26]3)[C:41]2=[O:42])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[NH2:20][CH:21]1[CH:22]2[N:23]([CH:24]([c:29]3[n:30][n:31][n:32][n:33]3[CH2:34][c:35]3[cH:36][cH:37][c:38]([CH3:40])[o:39]3)[C:25]([CH3:27])([CH3:28])[S:26]2)[C:41]1=[O:42]Participants
5
Sources & evidence
- ORD record
- ord-6a492a5ba295419a9e6cfaba1c925fcf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…