HRID209881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID7607

3,4-Dichlorophenyl isocyanate

C7H3Cl2NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID137876

1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione

C11H16O2

PRODUCTS

生成物

结构：CC12CCC(C(=O)C(C(=O)Nc3ccc(Cl)c(Cl)c3)C1=O)C2(C)C

HCID11508917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5a9a79b53724d2da49c1381aebc3d68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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