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Water → 3-(1-cyano-1-methylethyl)-N-(3-hydroxy-4-methoxyphenyl)benzamide

HRID 168324
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반응식

HRID 168324 반응식
[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[CH2:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH:35]([CH3:36])[CH3:37])[CH3:38].[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[Cl:39][C:40]([C:41]([Cl:42])=[O:43])=[O:44].[NH2:20][c:21]1[cH:22][cH:23][c:24]([O:28][CH3:29])[c:25]([OH:27])[cH:26]1.[OH2:45]>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:20][c:21]2[cH:22][cH:23][c:24]([O:28][CH3:29])[c:25]([OH:27])[cH:26]2)[cH:12][cH:13][cH:14]1
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반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 65578Oxalyl chlorideHCID 743145-Amino-2-methoxyphenolHCID 81531DiisopropylethylamineHCID 571495383-(2-Cyanopropan-2-yl)benzoic acid

생성물 1

HCID 673126173-(1-cyano-1-methylethyl)-N-(3-hydroxy-4-methoxyphenyl)benzamide

출처 및 근거

ORD 기록
ord-88dbdc049ec24c1d930d281cb981fae8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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