Methanol → HCID 178428495, compound
Reaction equation
[CH3:36][OH:37].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12](=[O:35])[n:13]([CH2:18][CH2:19][c:20]3[n:21][n:22]([CH:29]4[CH2:30][CH2:31][CH2:32][CH2:33][O:34]4)[c:23]4[n:24][cH:25][cH:26][cH:27][c:28]34)[cH:14][cH:15][c:16]2[CH3:17])[cH:9]1.[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12](=[O:35])[n:13]([CH2:18][CH2:19][c:20]3[n:21][nH:22][c:23]4[n:24][cH:25][cH:26][cH:27][c:28]34)[cH:14][cH:15][c:16]2[CH3:17])[cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-459e0e62f2ff4ccebc0358415d04f82d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)