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Water → 5-[2-(Acetylamino)-4-methyl-1,3-thiazol-5-yl]thiophene-2-carboxylic acid

HRID 838656
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HRID 838656 반응식
[C:40](=[O:41])([O-:42])[O-:43].[CH:12]([c:13]1[s:14][c:15](-[c:16]2[s:17][c:18]([NH:19][C:20](=[O:21])[CH3:22])[n:23][c:24]2[CH3:25])[cH:26][cH:27]1)=[O:28].[Cs+:44].[Cs+:45].[I:1][c:2]1[c:3]([CH3:11])[n:4][c:5]([NH:7][C:8]([CH3:9])=[O:10])[s:6]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46].[OH:29][B:30]([c:31]1[cH:32][cH:33][c:34]([C:36](=[O:37])[OH:38])[s:35]1)[OH:39]>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]([C:36](=[O:37])[OH:38])[s:35]2)[c:3]([CH3:11])[n:4][c:5]([NH:7][C:8]([CH3:9])=[O:10])[s:6]1
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참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 27798075-Boronothiophene-2-carboxylic acidHCID 11993393Acetamide, N-[5-(5-formyl-2-thienyl)-4-methyl-2-thiazolyl]-HCID 57417074N-(5-Iodo-4-methyl-2-thiazolyl)acetamide

출처 및 근거

ORD 기록
ord-e0e2e32483734c5dafc4ac6f19ca2be4
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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생성물 1

HCID 119933965-[2-(Acetylamino)-4-methyl-1,3-thiazol-5-yl]thiophene-2-carboxylic acid