Pyridine → 4-[N-(4-acetylaminophenyl)-N-(4-bromobenzyl)amino]-4H-1,2,4-triazole

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 7918Acetic Anhydride

HCID 229058094-[N-(4-aminophenyl)-N-(4-bromobenzyl)amino]-4H-1,2,4-triazole

생성물 1

HCID 229057974-[N-(4-acetylaminophenyl)-N-(4-bromobenzyl)amino]-4H-1,2,4-triazole

출처 및 근거

ORD 기록: ord-58a5923af11445b19bfad2626a639b3c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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