Isopropanol → Nilvadipine

HRID 1222163

반응식

HRID 1222163 반응식
[C:1](=[O:2])([OH:3])[C:4]1=[C:9]([CH3:10])[NH:8][C:7]([C:11]#[N:12])=[C:6]([C:13](=[O:14])[O:15][CH3:16])[CH:5]1[c:17]1[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]1.[CH:32]([CH3:33])([CH3:34])[OH:35].[Cl:26][P:27]([Cl:28])([Cl:29])([Cl:30])[Cl:31]>>[C:1](=[O:2])([O:3][CH:32]([CH3:33])[CH3:34])[C:4]1=[C:9]([CH3:10])[NH:8][C:7]([C:11]#[N:12])=[C:6]([C:13](=[O:14])[O:15][CH3:16])[CH:5]1[c:17]1[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]1

참가 물질

4

반응물 3

HCID 3776IsopropanolHCID 24819Phosphorus pentachlorideHCID 153887666-Cyano-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

생성물 1

HCID 4494Nilvadipine

출처 및 근거

ORD 기록
ord-4e581033b43a4d30bf128099ba2b70b4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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