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Dimethyl Sulfoxide → Methyl 3-(4-{[4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoro methyl)pentyl]amino}-1h-indazol-1-yl)benzoate

HRID 318954
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HRID 318954 반응식
[CH3:41][S:42]([CH3:43])=[O:44].[CH3:45][OH:46].[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]2([C:13]([F:14])([F:15])[F:16])[O:11][CH2:12]2)([CH3:17])[CH3:18])[cH:7]1.[NH2:21][c:22]1[c:23]2[cH:24][n:25][n:26](-[c:31]3[cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39][cH:40]3)[c:27]2[cH:28][cH:29][cH:30]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]([OH:11])([CH2:12][NH:21][c:22]2[c:23]3[cH:24][n:25][n:26](-[c:31]4[cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39][cH:40]4)[c:27]3[cH:28][cH:29][cH:30]2)[C:13]([F:14])([F:15])[F:16])([CH3:17])[CH3:18])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 4

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 160992392-[2-(5-Fluoro-2-methoxyphenyl)-2-methylpropyl]-2-trifluoromethyloxiraneHCID 57615925Methyl 3-(4-amino-1H-indazol-1-yl)benzoate

생성물 1

HCID 57615966Methyl 3-(4-{[4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoro methyl)pentyl]amino}-1h-indazol-1-yl)benzoate

출처 및 근거

ORD 기록
ord-d90d6fc7f34746738748e7dee5e3045c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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