HRID92061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID69861

4-tert-Butylaniline

C10H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22170454

4-(3-Chloropyridin-2-yl)benzoic acid

C12H8ClNO2

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1

HCID11451387

N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)benzamide

C22H21ClN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-168245b663be42beb4d536817fcb98b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][cH:23][c:24]([NH2:25])[cH:26][cH:27]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[n:4][cH:5][cH:6][cH:7]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:14])[NH:25][c:24]3[cH:23][cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:27][cH:26]3)[cH:15][cH:16]2)[n:4][cH:5][cH:6][cH:7]1