1-Butanol → HCID 68488997, compound
Reaction equation
[CH2:37]([OH:38])[CH2:39][CH2:40][CH3:41].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:17])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1.[F:18][c:19]1[cH:20][cH:21][c:22]([CH:25]([CH3:26])[NH2:27])[n:23][cH:24]1>>[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])[n:3][cH:4][c:5]([Cl:17])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-dcb3a0543e71477c9a3887bdba172913
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…