Isopropanol → HCID 67344899, compound
Reaction equation
[CH3:48][CH:49]([OH:50])[CH3:51].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([C:15]#[N:16])[CH2:13][CH2:14]1.[c:17]1([S:23](=[O:24])(=[O:25])[n:26]2[cH:27][cH:28][c:29]3[c:30]2[n:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[c:34]3[Cl:35])[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[NH:8]([CH:9]1[CH2:10][CH2:11][CH:12]([C:15]#[N:16])[CH2:13][CH2:14]1)[c:34]1[c:29]2[cH:28][cH:27][n:26]([S:23]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)(=[O:24])=[O:25])[c:30]2[n:31][cH:32][c:33]1[N+:36](=[O:37])[O-:38]Participants
6
Sources & evidence
- ORD record
- ord-d04f4db046df4390b5351a26b4ee167f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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