Isopropanol → HCID 59835906, compound
Reaction equation
[CH3:1][CH:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:8][S:9]([O:10][CH:13]([CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([C:22]#[C:23][c:24]2[n:25][cH:26][c:27](-[c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[cH:28][cH:29]2)[cH:20][cH:21]1)[CH3:37])(=[O:11])=[O:12].[CH:38]([OH:39])([CH3:40])[CH3:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([CH:13]([CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([C:22]#[C:23][c:24]3[n:25][cH:26][c:27](-[c:30]4[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]4)[cH:28][cH:29]3)[cH:20][cH:21]2)[CH3:37])[CH2:6][CH2:7]1Participants
5
Sources & evidence
- ORD record
- ord-0d2612b24ce2494fac92d8ef4d9f9de0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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