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Dimethylformamide → 3-[5-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-pyridin-2-ylsulfanyl]-benzoic acid

HRID 170599
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반응식

HRID 170599 반응식
[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:11][c:12]1[cH:13][cH:14][c:15]([CH2:18][O:19][c:20]2[c:21]([CH2:30][CH2:31][CH3:32])[c:22]([OH:29])[c:23]([C:26]([CH3:27])=[O:28])[cH:24][cH:25]2)[cH:16][n:17]1.[SH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10]1>>[S:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10]1)[c:12]1[cH:13][cH:14][c:15]([CH2:18][O:19][c:20]2[c:21]([CH2:30][CH2:31][CH3:32])[c:22]([OH:29])[c:23]([C:26]([CH3:27])=[O:28])[cH:24][cH:25]2)[cH:16][n:17]1
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5

반응물 4

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 95737Benzoic acid, 3-mercapto-HCID 866198471-[4-(6-Chloro-pyridin-3-ylmethoxy)-2-hydroxy-3-propyl-phenyl]-ethanone

생성물 1

HCID 595994953-[5-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-pyridin-2-ylsulfanyl]-benzoic acid

출처 및 근거

ORD 기록
ord-22977e3c0892425eafb73e9f4b098487
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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