Chloride → 5-{[4,4-Dimethyl-6-fluoro-2-hydroxy-5-methoxy-2-trifluoromethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-quinolin-2(1H)-one

HRID 803271

반응식

HRID 803271 반응식
[Cl-:34].[Cl-:35].[Cl-:36].[Cl-:37].[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][c:27](=[O:33])[nH:28][c:29]2[cH:30][cH:31][cH:32]1.[Ti+4:38]>>[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]2[c:5]([cH:6][cH:7]1)[CH:11]([NH:22][c:23]1[c:24]3[cH:25][cH:26][c:27](=[O:33])[nH:28][c:29]3[cH:30][cH:31][cH:32]1)[C:10]([C:13]([F:14])([F:15])[F:16])([OH:17])[CH2:9][C:8]2([CH3:18])[CH3:19]

참가 물질

5

반응물 4

HCID 312Chloride4회HCID 114942Titanium cation (4+)HCID 157190785-Amino-1,2-dihydroquinolin-2-oneHCID 179890864-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal

생성물 1

HCID 686804845-{[4,4-Dimethyl-6-fluoro-2-hydroxy-5-methoxy-2-trifluoromethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-quinolin-2(1H)-one

출처 및 근거

ORD 기록
ord-25e67b23ddcc4525bbef3337740a40c1
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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