Sodium Ion → 5-[4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]isoquinol-1(2H)-one

반응식

[BH4-:34].[F:1][c:2]1[cH:3][c:4]([C:11]([CH2:12][C:13]([CH:14]=[N:15][c:16]2[c:17]3[cH:18][cH:19][nH:20][c:21](=[O:26])[c:22]3[cH:23][cH:24][cH:25]2)([C:27]([F:28])([F:29])[F:30])[OH:31])([CH3:32])[CH3:33])[c:5]2[c:6]([cH:10]1)[CH2:7][CH2:8][O:9]2.[Na+:35]>>[F:1][c:2]1[cH:3][c:4]([C:11]([CH2:12][C:13]([CH2:14][NH:15][c:16]2[c:17]3[cH:18][cH:19][nH:20][c:21](=[O:26])[c:22]3[cH:23][cH:24][cH:25]2)([C:27]([F:28])([F:29])[F:30])[OH:31])([CH3:32])[CH3:33])[c:5]2[c:6]([cH:10]1)[CH2:7][CH2:8][O:9]2

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 28123Borohydride

HCID 68854284HCID 68854284, 화합물

생성물 1

HCID 115763075-[4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]isoquinol-1(2H)-one

출처 및 근거

ORD 기록: ord-25d268c017eb4de19dea1326b78aaf07
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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