Water → 4-Oxo-7-(3-[2-propylphenoxy]propoxy)-4H-1-benzopyran-2-carbonitrile
Reaction equation
[CH3:6][N:7]([CH3:8])[CH:9]=[O:10].[O:11]=[c:12]1[cH:13][c:14]([C:36](=[O:37])[NH2:38])[o:15][c:16]2[c:17]1[cH:18][cH:19][c:20]([O:22][CH2:23][CH2:24][CH2:25][O:26][c:27]1[c:28]([CH2:33][CH2:34][CH3:35])[cH:29][cH:30][cH:31][cH:32]1)[cH:21]2.[OH2:39].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[O:11]=[c:12]1[cH:13][c:14]([C:36]#[N:38])[o:15][c:16]2[c:17]1[cH:18][cH:19][c:20]([O:22][CH2:23][CH2:24][CH2:25][O:26][c:27]1[c:28]([CH2:33][CH2:34][CH3:35])[cH:29][cH:30][cH:31][cH:32]1)[cH:21]2Participants
5
Sources & evidence
- ORD record
- ord-1479fdcc417244d087438e6b7af2402f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…