(4-Chloro-3-methylphenyl)boronic acid → 2-(3-Nitro-6-propylaminophenyl)-5-(3-methyl-4-chlorophenyl)benzoxazole

HRID 212001

반응식

HRID 212001 반응식
[CH3:24][c:25]1[cH:26][c:27]([B:32]([OH:33])[OH:34])[cH:28][cH:29][c:30]1[Cl:31].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:14]2[o:15][c:16]3[c:17]([n:18]2)[cH:19][c:20]([Br:23])[cH:21][cH:22]3)[c:7]([NH:10][CH2:11][CH2:12][CH3:13])[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:14]2[o:15][c:16]3[c:17]([n:18]2)[cH:19][c:20](-[c:27]2[cH:26][c:25]([CH3:24])[c:30]([Cl:31])[cH:29][cH:28]2)[cH:21][cH:22]3)[c:7]([NH:10][CH2:11][CH2:12][CH3:13])[cH:8][cH:9]1

참가 물질

3

반응물 2

HCID 3786632(4-Chloro-3-methylphenyl)boronic acidHCID 53038022-(5-bromo-1,3-benzoxazol-2-yl)-4-nitro-N-propylaniline

생성물 1

HCID 218843562-(3-Nitro-6-propylaminophenyl)-5-(3-methyl-4-chlorophenyl)benzoxazole

출처 및 근거

ORD 기록
ord-175f38a97d7c45bd913dce6e57cd133f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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