1-Butanol → HCID 14407161, compound
Reaction equation
[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH:40]([OH:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:6][cH:7]1.[Cl:22][CH2:23][CH2:24][CH2:25][O:26][c:27]1[c:28]([O:36][CH3:37])[cH:29][c:30]([C:33]([CH3:34])=[O:35])[cH:31][cH:32]1.[I-:39].[K+:38]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]2[CH2:10][CH2:11][N:12]([CH2:23][CH2:24][CH2:25][O:26][c:27]3[c:28]([O:36][CH3:37])[cH:29][c:30]([C:33]([CH3:34])=[O:35])[cH:31][cH:32]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-9a5bc2bdea9f425ca432034aa9458bce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…