Dimethyl Sulfoxide → 2-(3-Nitro-4-methoxyphenyl)-5-(3,5-difluorophenyl)benzoxazole

반응식

[CH3:33][S:34]([CH3:35])=[O:36].[F:22][c:23]1[cH:24][c:25]([B:30]([OH:31])[OH:32])[cH:26][c:27]([F:29])[cH:28]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:12]2[o:13][c:14]3[c:15]([n:16]2)[cH:17][c:18]([Br:21])[cH:19][cH:20]3)[cH:7][cH:8][c:9]1[O:10][CH3:11]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:12]2[o:13][c:14]3[c:15]([n:16]2)[cH:17][c:18](-[c:25]2[cH:24][c:23]([F:22])[cH:28][c:27]([F:29])[cH:26]2)[cH:19][cH:20]3)[cH:7][cH:8][c:9]1[O:10][CH3:11]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 2734338(3,5-Difluorophenyl)boronic acid

HCID 218843422-(3-Nitro-4-methoxyphenyl)-5-bromobenzoxazole

생성물 1

HCID 218843112-(3-Nitro-4-methoxyphenyl)-5-(3,5-difluorophenyl)benzoxazole

출처 및 근거

ORD 기록: ord-10c2770875a645cc8c0c3901a6d724ad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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