4-Methyl-m-anisic acid → HCID 67366354, 화합물

반응식

[CH3:14][O:15][c:16]1[cH:17][c:18]([C:23]([OH:24])=[O:25])[cH:19][cH:20][c:21]1[CH3:22].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]1[CH3:13].[Cl:26][c:27]1[cH:28][c:29]([C:34]([O:35][CH3:36])=[O:37])[cH:30][cH:31][c:32]1[CH2:33][C:38](=[O:39])[c:40]1[c:41]([OH:47])[cH:42][c:43]([OH:46])[cH:44][cH:45]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]1[CH2:13][C:38](=[O:39])[c:40]1[c:41]([OH:47])[cH:42][c:43]([OH:46])[cH:44][cH:45]1

참가 물질

반응물 3

HCID 815794-Methyl-m-anisic acid

HCID 591123Benzoic acid, 3-methoxy-4-methyl-, methyl ester

HCID 67365584Methyl 3-chloro-4-(2-(2,4-dihydroxyphenyl)-2-oxoethyl)benzoate

생성물 1

HCID 67366354HCID 67366354, 화합물

출처 및 근거

ORD 기록: ord-b5dcfb3da34643f1af75272e57efe35b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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