Acetone → HCID 86597791, compound
Reaction equation
[Br:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44].[C:32](=[O:33])([O-:34])[O-:35].[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]([OH:31])[cH:6][cH:7][c:8]2[c:9]([CH2:13][CH2:14][c:15]3[n:16][c:17](-[c:23]4[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]4)[o:18][c:19]3[CH:20]([CH3:21])[CH3:22])[n:10][o:11][c:12]12.[CH3:45][C:46](=[O:47])[CH3:48].[K+:36].[K+:37]>>[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]([O:31][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:6][cH:7][c:8]2[c:9]([CH2:13][CH2:14][c:15]3[n:16][c:17](-[c:23]4[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]4)[o:18][c:19]3[CH:20]([CH3:21])[CH3:22])[n:10][o:11][c:12]12Participants
6
Sources & evidence
- ORD record
- ord-987405f788f44137b8bec639e04a6d5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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