1-Butanol → HCID 178463521, compound
Reaction equation
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:17]([CH3:18])[NH2:19])[c:9](-[c:12]3[n:13][cH:14][s:15][cH:16]3)[n:10][c:11]12.[Cl:20][c:21]1[c:22]2[nH:23][cH:24][n:25][c:26]2[n:27][cH:28][n:29]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:17]([CH3:18])[NH:19][c:21]3[c:22]4[n:23][cH:24][nH:25][c:26]4[n:27][cH:28][n:29]3)[c:9](-[c:12]3[n:13][cH:14][s:15][cH:16]3)[n:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-2cb325428808453f89aeccc8465b2c82
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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