Toluene → 2-(4-Chloro-phenyl)-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 6101p-Toluenesulfonic acid

HCID 575017402-(4-chloro-phenyl)-5-(3,4-dimethoxy-benzyl)-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

생성물 1

HCID 575017522-(4-Chloro-phenyl)-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one

출처 및 근거

ORD 기록: ord-043c68d5574c43619d257f539fcbef15
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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