HRID314481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1c1ccc(Cl)cc1n2C

HCID18425198

Ethyl 7-chloro-3-(3-chlorophenyl)-5-methyl-4-oxo-3,5-dihydro-4H-pyridazino[4,5-b]indole-1-carboxylate

C20H15Cl2N3O3

PRODUCTS

生成物

结构：CN(C)C(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1c1ccc(Cl)cc1n2C

HCID9931642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-691704fd1cad405e92bf1ab92193e404
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:12][Al:13]([CH3:14])[CH3:15].[CH3:2][NH:3][CH3:4].[CH3:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[Cl:16][c:17]1[cH:18][cH:19][c:20]2[c:21]3[c:22]([n:23]([CH3:26])[c:24]2[cH:25]1)[c:27](=[O:43])[n:28](-[c:36]1[cH:37][c:38]([Cl:42])[cH:39][cH:40][cH:41]1)[n:29][c:30]3[C:31](=[O:32])[O:33][CH2:34][CH3:35].[Cl:44][CH2:45][Cl:46].[ClH:1].[OH2:47]>>[CH3:2][N:3]([CH3:4])[C:31]([c:30]1[c:21]2[c:20]3[cH:19][cH:18][c:17]([Cl:16])[cH:25][c:24]3[n:23]([CH3:26])[c:22]2[c:27](=[O:43])[n:28](-[c:36]2[cH:37][c:38]([Cl:42])[cH:39][cH:40][cH:41]2)[n:29]1)=[O:32]