Acetone → HCID 67998898, compound
Reaction equation
[CH3:47][C:48](=[O:49])[CH3:50].[Cl:10][c:11]1[cH:12][c:13]([CH:17]2[CH2:18][C:19]([CH2:35][CH2:36][N:37]3[CH2:38][CH2:39][O:40][CH2:41][CH2:42]3)([CH2:43][CH2:44][OH:45])[C:20](=[O:34])[N:21]([CH2:30][CH:31]3[CH2:32][CH2:33]3)[CH:22]2[c:23]2[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[cH:14][cH:15][cH:16]1.[O:1]=[Cr:2](=[O:3])=[O:4].[OH2:46].[S:5]([OH:6])(=[O:7])(=[O:8])[OH:9]>>[OH:6][C:44]([CH2:43][C:19]1([CH2:35][CH2:36][N:37]2[CH2:38][CH2:39][O:40][CH2:41][CH2:42]2)[CH2:18][CH:17]([c:13]2[cH:12][c:11]([Cl:10])[cH:16][cH:15][cH:14]2)[CH:22]([c:23]2[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[N:21]([CH2:30][CH:31]2[CH2:32][CH2:33]2)[C:20]1=[O:34])=[O:45]Participants
6
Sources & evidence
- ORD record
- ord-c2c641d0db8244a190647d9a29ec9805
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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