1-Butanol → HCID 178490637, compound
Reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[CH:12]([OH:13])[CH:14]([OH:15])[CH:16]([CH2:18][OH:19])[O:17]3)[c:7]2[n:8][cH:9][n:10]1.[OH:20][CH2:21][CH2:22][NH:23][CH2:24][c:25]1[c:26]([O:32][CH3:33])[cH:27][cH:28][c:29]([Cl:31])[cH:30]1>>[c:2]1([N:23]([CH2:22][CH2:21][OH:20])[CH2:24][c:25]2[c:26]([O:32][CH3:33])[cH:27][cH:28][c:29]([Cl:31])[cH:30]2)[c:3]2[n:4][cH:5][n:6]([CH:11]3[CH:12]([OH:13])[CH:14]([OH:15])[CH:16]([CH2:18][OH:19])[O:17]3)[c:7]2[n:8][cH:9][n:10]1Participants
5
Sources & evidence
- ORD record
- ord-e7e25662b8374bb3bcd1660d5254a2f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)