Acetone → HCID 15411537, compound
Reaction equation
[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:22][O:23][CH2:24][CH2:25][O:26][CH2:27][O:28][c:29]1[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:38][cH:39]1.[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH3:53][C:54](=[O:55])[CH3:56].[CH3:6][O:7][CH2:8][CH2:9][O:10][CH2:11][O:12][c:13]1[cH:14][c:15]2[c:16]([n:17][cH:18][s:19]2)[cH:20][cH:21]1.[Cl-:40].[NH4+:41].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH3:6][O:7][CH2:8][CH2:9][O:10][CH2:11][O:12][c:13]1[cH:14][c:15]2[c:16]([n:17][c:18]([C:33]([c:32]3[cH:31][cH:30][c:29]([O:28][CH2:27][O:26][CH2:25][CH2:24][O:23][CH3:22])[cH:39][cH:38]3)=[O:34])[s:19]2)[cH:20][cH:21]1Participants
9
Sources & evidence
- ORD record
- ord-f991b20f79e042ef890287f288500ab5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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