HRID124506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID1133079

N-(2-aminophenyl)-4-tert-butylbenzamide

C17H20N2O

HCID16227938

1H-Indazole-6-carboxylic acid

C8H6N2O2

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc3cn[nH]c3c2)cc1

HCID12015825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29d53cb9780d48f9902be6931e36d171
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH2:18])[cH:14][cH:15][cH:16][cH:17]2)[cH:19][cH:20]1.[CH2:33]([Cl:34])[CH2:35][Cl:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[nH:21]1[n:22][cH:23][c:24]2[cH:25][cH:26][c:27]([C:30](=[O:31])[OH:32])[cH:28][c:29]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH:18][C:30]([c:27]3[cH:26][cH:25][c:24]4[cH:23][n:22][nH:21][c:29]4[cH:28]3)=[O:31])[cH:14][cH:15][cH:16][cH:17]2)[cH:19][cH:20]1