Toluene → 3-{4-[2-(6-Benzoyl-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]phenyl}-propanoic acid

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 8078Cyclohexane

HCID 22351065Methyl 3-{4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]-phenyl}propanoate

생성물 1

HCID 223510983-{4-[2-(6-Benzoyl-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]phenyl}-propanoic acid

출처 및 근거

ORD 기록: ord-c215b270c50d4eb2ae51668594aa1c78
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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