Acetonitrile → [3-[2-(Acetyloxymethyl)-4-amino-5-chloro-3-methylphenyl]-1-methoxy-1-oxopropan-2-yl] benzoate
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]([C:11](=[O:12])[O:13][CH3:14])[CH2:15][c:16]1[c:17]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[c:18]([CH3:23])[c:19]([NH2:22])[cH:20][cH:21]1.[CH3:29][C:30]#[N:31].[Cl:32][N:33]1[C:34](=[O:35])[CH2:36][CH2:37][C:38]1=[O:39]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]([C:11](=[O:12])[O:13][CH3:14])[CH2:15][c:16]1[c:17]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[c:18]([CH3:23])[c:19]([NH2:22])[c:20]([Cl:32])[cH:21]1Participants
4
Sources & evidence
- ORD record
- ord-3008aa2de2e44198841de72d1c1eb6b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
- DOI