Ethanol → HCID 57898118, compound
Reaction equation
[CH3:51][CH2:52][OH:53].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:28]3[cH:29][cH:30][c:31](-[c:34]4[n:35][c:36]([Cl:40])[n:37][cH:38][cH:39]4)[cH:32][cH:33]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[c:15]([S:24](=[O:25])(=[O:26])[CH3:27])[n:16][n:17]3-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1.[O:41]([CH3:42])[c:43]1[cH:44][cH:45][c:46]([CH2:47][NH2:48])[cH:49][cH:50]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:28]3[cH:29][cH:30][c:31](-[c:34]4[n:35][c:36]([NH:48][CH2:47][c:46]5[cH:45][cH:44][c:43]([O:41][CH3:42])[cH:50][cH:49]5)[n:37][cH:38][cH:39]4)[cH:32][cH:33]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[c:15]([S:24](=[O:25])(=[O:26])[CH3:27])[n:16][n:17]3-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-05ac3e58132b4031ac837f61ba7f3a12
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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