Isopropanol → HCID 178457553, compound
Reaction equation
[CH3:30][N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:19][c:20]1[cH:21][c:22]([CH:26]([CH2:27][CH3:28])[NH2:29])[cH:23][cH:24][cH:25]1.[n:1]1[cH:2][c:3]([NH:7][C:8]([O:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[N:16][C:17]#[N:18])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([NH:7][C:8](=[N:16][C:17]#[N:18])[NH:29][CH:26]([c:22]2[cH:21][c:20]([Cl:19])[cH:25][cH:24][cH:23]2)[CH2:27][CH3:28])[cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-2d675fc855f0498d83b3ddf75c054ee4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…