Toluene → Methyl 4-hydroxy-3-methoxy-cinnamate

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 1183Vanillin

HCID 17453Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester

생성물 1

HCID 16830Methyl 4-hydroxy-3-methoxy-cinnamate

출처 및 근거

ORD 기록: ord-55aef7b8a17d416c823e83b545dc7281
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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