Ethanol → HCID 21875764, compound
Reaction equation
[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][CH2:50][OH:51].[CH:25]([Cl:26])([Cl:27])[Cl:28].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6](-[c:11]3[cH:12][cH:13][c:14]([C:17]([C:18]#[N:19])([CH3:20])[CH3:21])[cH:15][cH:16]3)[c:7]([CH2:9][CH3:10])[n:8]2)[cH:22][c:23]1[Cl:24].[c:29]1([CH3:41])[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[N:38]=[C:39]=[O:40])[cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6](-[c:11]3[cH:12][cH:13][c:14]([C:17]([CH2:18][NH:19][C:39]([NH:38][S:35]([c:32]4[cH:31][cH:30][c:29]([CH3:41])[cH:34][cH:33]4)(=[O:36])=[O:37])=[O:40])([CH3:20])[CH3:21])[cH:15][cH:16]3)[c:7]([CH2:9][CH3:10])[n:8]2)[cH:22][c:23]1[Cl:24]Participants
6
Sources & evidence
- ORD record
- ord-e6281bca296a419d99f49a0d50fc74b5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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