Acetone → HCID 59644555, compound
Reaction equation
[CH3:58][C:59](=[O:60])[CH3:61].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[n:8][n:9][c:10](-[c:18]3[c:19]([C:29](=[O:30])[c:31]4[c:32]([Cl:37])[cH:33][cH:34][cH:35][cH:36]4)[c:20]([CH2:23][CH:24]([O:25][CH3:28])[O:26][CH3:27])[n:21][o:22]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[OH2:62].[c:47]1([CH3:48])[cH:49][cH:50][c:51]([S:52]([OH:53])(=[O:54])=[O:55])[cH:56][cH:57]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[n:8][n:9][c:10](-[c:18]3[c:19]([C:29](=[O:30])[c:31]4[c:32]([Cl:37])[cH:33][cH:34][cH:35][cH:36]4)[c:20]([CH2:23][CH:24]=[O:25])[n:21][o:22]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46]Participants
5
Sources & evidence
- ORD record
- ord-770ccef785664188ac086071c2d5095f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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