Isopropanol → HCID 58290847, compound
Reaction equation
[CH3:43][c:44]1[cH:45][cH:46][c:47]([S:48](=[O:49])(=[O:50])[OH:51])[cH:52][cH:53]1.[CH:24]([CH3:25])([CH3:26])[O:27][c:28]1[c:29]([NH2:30])[cH:31][c:32]([CH3:42])[c:33]([CH:35]2[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]2)[cH:34]1.[CH:54]([OH:55])([CH3:56])[CH3:57].[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[c:13]([S:18](=[O:19])(=[O:20])[CH:21]([CH3:22])[CH3:23])[cH:14][cH:15][cH:16][cH:17]2)[c:5]([C:9]#[N:10])[c:6]([Cl:8])[n:7]1>>[c:2]1([NH:30][c:29]2[c:28]([O:27][CH:24]([CH3:25])[CH3:26])[cH:34][c:33]([CH:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)[c:32]([CH3:42])[cH:31]2)[n:3][c:4]([NH:11][c:12]2[c:13]([S:18](=[O:19])(=[O:20])[CH:21]([CH3:22])[CH3:23])[cH:14][cH:15][cH:16][cH:17]2)[c:5]([C:9]#[N:10])[c:6]([Cl:8])[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-a3c4bccf86db4507a17285616d8af542
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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