Acetonitrile → HCID 58696325, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[C:9]([CH2:10][CH:11]=[CH2:12])([CH2:13][NH:14][CH3:15])[c:16]1[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]1)=[O:24].[C:32]([CH:33]([CH3:34])[CH3:35])(=[O:36])[Cl:37].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:38][C:39]#[N:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[C:9]([CH2:10][CH:11]=[CH2:12])([CH2:13][N:14]([CH3:15])[C:32]([CH:33]([CH3:34])[CH3:35])=[O:36])[c:16]1[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]1)=[O:24]Participants
5
Sources & evidence
- ORD record
- ord-4a5f9eb71f6d425dad0c54660024fd66
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)