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Dichloromethane → [1-(5-carbamoyl-4-{1-[4-fluoro-2-(trifluoromethyl)phenyl]ethoxy}-2-thienyl)-1H-imidazo[4,5-c]pyridin-6-yl]methyl methanesulfonate

HRID 165773
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HRID 165773 반응식
[CH3:34][S:35]([Cl:36])(=[O:37])=[O:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:46][CH2:47][Cl:48].[F:1][c:2]1[cH:3][c:4]([C:30]([F:31])([F:32])[F:33])[c:5]([CH:8]([CH3:9])[O:10][c:11]2[c:12]([C:27](=[O:28])[NH2:29])[s:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[cH:20][n:21][c:22]([CH2:25][OH:26])[cH:23][c:24]34)[cH:15]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([C:30]([F:31])([F:32])[F:33])[c:5]([CH:8]([CH3:9])[O:10][c:11]2[c:12]([C:27](=[O:28])[NH2:29])[s:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[cH:20][n:21][c:22]([CH2:25][O:26][S:35]([CH3:34])(=[O:37])=[O:38])[cH:23][c:24]34)[cH:15]2)[cH:6][cH:7]1
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5

반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 687691013-{1-[4-fluoro-2-(trifluoromethyl)phenyl]ethoxy}-5-[6-(hydroxymethyl)-1H-imidazo[4,5-c]pyridin-1-yl]thiophene-2-carboxamide

생성물 1

HCID 86647110[1-(5-carbamoyl-4-{1-[4-fluoro-2-(trifluoromethyl)phenyl]ethoxy}-2-thienyl)-1H-imidazo[4,5-c]pyridin-6-yl]methyl methanesulfonate

출처 및 근거

ORD 기록
ord-f093cd8eae2d44df811319b8cf921fc4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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