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Acetic Acid → N-[3-Fluoro-4-({3-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}oxy)phenyl]acetamide

HRID 2340819
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HRID 2340819 반응식
[Br:1][c:2]1[cH:3][n:4]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[c:5]2[n:6][cH:7][cH:8][c:9]([O:11][c:12]3[c:13]([F:22])[cH:14][c:15]([NH:18][C:19]([CH3:20])=[O:21])[cH:16][cH:17]3)[c:10]12.[CH3:33][Zn:34][CH3:35].[CH3:36][C:37](=[O:38])[OH:39].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[ClH:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[c:2]1([CH3:33])[cH:3][n:4]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[c:5]2[n:6][cH:7][cH:8][c:9]([O:11][c:12]3[c:13]([F:22])[cH:14][c:15]([NH:18][C:19]([CH3:20])=[O:21])[cH:16][cH:17]3)[c:10]12
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반응물 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 1140TolueneHCID 312751,4-DioxaneHCID 59740993N-[4-({3-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}oxy)-3-fluorophenyl]acetamideHCID 178477796HCID 178477796, 화합물

생성물 1

HCID 59741018
N-[3-Fluoro-4-({3-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}oxy)phenyl]acetamide

출처 및 근거

ORD 기록
ord-fc2b24fc8bea4aec8d0de0034f073bba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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