1-Butanol → HCID 53482875, compound
Reaction equation
[CH3:38][CH2:39][CH2:40][CH2:41][OH:42].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:10])[c:7]1[C:8]#[N:9].[OH2:43].[n:11]1[c:12](-[n:17]2[c:18]([CH:26]([CH3:27])[NH2:28])[n:19][c:20]3[n:21][cH:22][cH:23][cH:24][c:25]23)[cH:13][cH:14][cH:15][cH:16]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([NH:28][CH:26]([c:18]2[n:17](-[c:12]3[n:11][cH:16][cH:15][cH:14][cH:13]3)[c:25]3[c:20]([n:19]2)[n:21][cH:22][cH:23][cH:24]3)[CH3:27])[c:7]1[C:8]#[N:9]Participants
6
Sources & evidence
- ORD record
- ord-ac5fbd42e9ff4c169f2635a5c6c19eac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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