3,5-Dimethyl-4-hydroxybenzonitrile → 4-[5-(4-Cyanoanilino)-2,4-dinitro-phenoxy]-3,5-dimethyl-benzonitrile

반응식

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

참가 물질

반응물 2

HCID 201763,5-Dimethyl-4-hydroxybenzonitrile

HCID 497779164-[5-(4-Bromo-2,6-dimethyl-phenoxy)-2,4-dinitro-anilino]benzonitrile

생성물 1

HCID 497779184-[5-(4-Cyanoanilino)-2,4-dinitro-phenoxy]-3,5-dimethyl-benzonitrile

출처 및 근거

ORD 기록: ord-8673c5fb2bf3463798e80b8b4037af79
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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