Toluene → N-(3-Aminophenyl)-3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide

반응식

[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:1]1([NH2:8])[cH:2][c:3]([NH2:7])[cH:4][cH:5][cH:6]1.[n:9]1[cH:10][cH:11][c:12]([CH2:19][NH:20][c:21]2[c:22]([C:26](=[O:27])[O:28][CH3:29])[s:23][cH:24][cH:25]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12>>[c:1]1([NH:8][C:26]([c:22]2[c:21]([NH:20][CH2:19][c:12]3[cH:11][cH:10][n:9][c:18]4[c:13]3[cH:14][cH:15][cH:16][cH:17]4)[cH:25][cH:24][s:23]2)=[O:27])[cH:2][c:3]([NH2:7])[cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 7935M-Phenylenediamine

HCID 59734303Methyl 3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxylate

생성물 1

HCID 59814810N-(3-Aminophenyl)-3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide

출처 및 근거

ORD 기록: ord-ddf1a40ca643498b90157b8ab36ee66b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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