Toluene → 7-Methoxy-4,4-dimethylchromane

반응식

[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[OH:1][CH2:2][CH2:3][C:4]([CH3:5])([CH3:6])[c:7]1[c:8]([OH:15])[cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1.[c:16]1([CH3:17])[cH:18][cH:19][c:20]([S:21]([OH:22])(=[O:23])=[O:24])[cH:25][cH:26]1>>[CH2:2]1[CH2:3][C:4]([CH3:5])([CH3:6])[c:7]2[c:8]([cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2)[O:15]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 6101p-Toluenesulfonic acid

HCID 210974522-(3-Hydroxy-1,1-dimethylpropyl)-5-methoxyphenol

생성물 1

HCID 210975127-Methoxy-4,4-dimethylchromane

출처 및 근거

ORD 기록: ord-f58a523be7e143eabc7a2dd5e22697b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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