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Water → 4-(4-Dimethylcarbamoyl-3-fluoro-phenoxy)-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide

HRID 941116
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HRID 941116 반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([S:12]([CH3:13])(=[O:14])=[O:15])[cH:16][cH:17]2)[cH:18][c:19]2[c:24]1[CH2:23][CH:21]([CH3:22])[O:20]2)=[O:25].[CH3:26][n:27]1[n:28][c:29]([NH:32][C:33](=[O:34])[c:35]2[cH:36][c:37]3[c:38]([c:45]([OH:47])[cH:46]2)[CH2:39][CH:40]([CH2:42][O:43][CH3:44])[O:41]3)[cH:30][cH:31]1.[F:48][c:49]1[c:50]([C:51](=[O:52])[N:53]([CH3:54])[CH3:55])[cH:56][cH:57][c:58]([F:60])[cH:59]1.[OH2:61]>>[CH3:26][n:27]1[n:28][c:29]([NH:32][C:33](=[O:34])[c:35]2[cH:36][c:37]3[c:38]([c:45]([O:47][c:58]4[cH:57][cH:56][c:50]([C:51](=[O:52])[N:53]([CH3:54])[CH3:55])[c:49]([F:48])[cH:59]4)[cH:46]2)[CH2:39][CH:40]([CH2:42][O:43][CH3:44])[O:41]3)[cH:30][cH:31]1
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참가 물질

5

반응물 4

HCID 962WaterHCID 595601864-hydroxy-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amideHCID 595604376-(4-Methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-4-carboxylic acid methyl esterHCID 606372302,4-difluoro-N,N-dimethylbenzamide

생성물 1

HCID 59560309
4-(4-Dimethylcarbamoyl-3-fluoro-phenoxy)-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide

출처 및 근거

ORD 기록
ord-f21619c8d9f749bb8e192a53ef37fee5
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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