P-Phenylenediamine → 9-Bromo-5-(p-aminophenylcarbamoylmethyl)-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

반응식

[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:19])[OH:20])[CH2:15][CH2:16]2.[c:21]1([NH2:28])[cH:22][cH:23][c:24]([NH2:27])[cH:25][cH:26]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:20])[NH:27][c:24]1[cH:23][cH:22][c:21]([NH2:28])[cH:26][cH:25]1)[CH2:15][CH2:16]2

참가 물질

반응물 2

HCID 7814P-Phenylenediamine

HCID 104723389-bromo-5-carboxymethyl-6,7-dihydro-1H, 5 H-pyrido[1,2,3-de]quinoxaline-2,3-dione

생성물 1

HCID 442853959-Bromo-5-(p-aminophenylcarbamoylmethyl)-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

출처 및 근거

ORD 기록: ord-02352eb0dc7544618a26fae3bf95abef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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