Acetonitrile → 4-Acetoxy-3-chloro-7-cyano-1-(4-fluoro-benzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:25][C:26]([CH3:27])=[O:28])[c:8]2[c:9]([c:10]([C:12]#[N:13])[n:11]1)[n:14]([CH2:17][c:18]1[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]1)[cH:15][cH:16]2.[CH3:37][C:38]#[N:39].[Cl:29][N:30]1[C:31](=[O:32])[CH2:33][CH2:34][C:35]1=[O:36]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:25][C:26]([CH3:27])=[O:28])[c:8]2[c:9]([c:10]([C:12]#[N:13])[n:11]1)[n:14]([CH2:17][c:18]1[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]1)[cH:15][c:16]2[Cl:29]Participants
4
Sources & evidence
- ORD record
- ord-6a46d60969a34173af040019fb4eb14b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)