1-Butanol → HCID 67455900, compound
Reaction equation
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:19])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[n:9]1.[F:29][c:30]1[cH:31][cH:32][c:33]([CH:36]([CH3:37])[NH2:38])[n:34][cH:35]1.[OH2:44]>>[c:2]1([NH:38][CH:36]([c:33]2[cH:32][cH:31][c:30]([F:29])[cH:35][n:34]2)[CH3:37])[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:19])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[n:9]1Participants
6
Sources & evidence
- ORD record
- ord-96ab5b2083624baa83014737b60e9cf5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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