Water → 4H-1-Benzopyran-2-carbonitrile, 7-methyl-4-oxo-
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[C:11]([NH2:12])(=[O:13])[c:14]1[o:15][c:16]2[c:17]([c:18](=[O:20])[cH:19]1)[cH:21][cH:22][c:23]([CH3:25])[cH:24]2.[CH3:6][N:7]([CH3:8])[CH:9]=[O:10].[OH2:26].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[C:11](#[N:12])[c:14]1[o:15][c:16]2[c:17]([c:18](=[O:20])[cH:19]1)[cH:21][cH:22][c:23]([CH3:25])[cH:24]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-28ca9c87d20648fd9e1afb13b1f873ed
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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