Acetone → HCID 178491756, compound
Reaction equation
[CH3:53][C:54](=[O:55])[CH3:56].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[nH:9][c:10]([CH2:12][N:13]([S:14](=[O:15])(=[O:16])[c:17]1[c:18]([CH3:26])[cH:19][c:20]([O:24][CH3:25])[cH:21][c:22]1[CH3:23])[CH3:27])[n:11]2.[ClH:34].[ClH:35].[K+:28].[K+:29].[O-:30][C:31]([O-:32])=[O:33].[n:36]1[cH:37][cH:38][c:39]([N:42]2[CH2:43][CH2:44][C:45]3([CH2:46][CH2:47][NH:48][CH2:49][CH2:50]3)[CH2:51][CH2:52]2)[cH:40][cH:41]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[nH:9][c:10]([CH2:12][N:13]([S:14](=[O:15])(=[O:16])[c:17]1[c:18]([CH3:26])[cH:19][c:20]([O:24][CH3:25])[cH:21][c:22]1[CH3:23])[CH3:27])[n:11]2)[N:48]1[CH2:47][CH2:46][C:45]2([CH2:44][CH2:43][N:42]([c:39]3[cH:38][cH:37][n:36][cH:41][cH:40]3)[CH2:52][CH2:51]2)[CH2:50][CH2:49]1Participants
7
Sources & evidence
- ORD record
- ord-a4ffd58956134756876ac0ffe2f0d815
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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