1-Butanol → HCID 178490997, compound
Reaction equation
[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:25][O:26][c:27]1[c:28]([CH2:29][NH2:30])[cH:31][cH:32][c:33]([O:35][CH3:36])[cH:34]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[N:1](=[N+:2]=[N-:3])[CH2:4][CH:5]1[CH2:6][CH:7]([n:15]2[cH:16][cH:17][c:18]3[c:19]2[n:20][cH:21][n:22][c:23]3[Cl:24])[CH:8]2[CH:9]1[O:10][C:11]([CH3:13])([CH3:14])[O:12]2>>[N:1](=[N+:2]=[N-:3])[CH2:4][CH:5]1[CH2:6][CH:7]([n:15]2[cH:16][cH:17][c:18]3[c:19]2[n:20][cH:21][n:22][c:23]3[NH:30][CH2:29][c:28]2[c:27]([O:26][CH3:25])[cH:34][c:33]([O:35][CH3:36])[cH:32][cH:31]2)[CH:8]2[CH:9]1[O:10][C:11]([CH3:13])([CH3:14])[O:12]2Participants
5
Sources & evidence
- ORD record
- ord-f29ac0d5163d40f583282216aea7a4d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)