Toluene → 2-(4-Chloro-phenyl)-6,7-dihydro-pyrano[4,3-d]thiazol-4-one

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 6344Dichloromethane

HCID 575016942-(4-Chloro-phenyl)-4-(2-hydroxy-ethyl)-thiazole-5-carboxylic acid

생성물 1

HCID 574214852-(4-Chloro-phenyl)-6,7-dihydro-pyrano[4,3-d]thiazol-4-one

출처 및 근거

ORD 기록: ord-68acb79e294a4312bcd38431a773620a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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