1-Butanol → HCID 68637051, compound
Reaction equation
[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:17])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH3:16])[cH:15]2)[n:9]1.[F:18][c:19]1[cH:20][cH:21][c:22]([CH:25]([CH3:26])[NH2:27])[n:23][cH:24]1.[n:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[NH2:43]>>[c:2]1([NH:27][CH:25]([c:22]2[cH:21][cH:20][c:19]([F:18])[cH:24][n:23]2)[CH3:26])[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:17])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH3:16])[cH:15]2)[n:9]1Participants
6
Sources & evidence
- ORD record
- ord-fb659e828c7c48ac8d4f9a906a2671f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…