HRID2123205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCc1nc2cc(NCc3ccccc3)ccc2n1CC(=O)OC(C)(C)C

HCID67200053

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(Cc3ccccc3)C(=O)C(C)C)ccc2n1CC(=O)OC(C)(C)C

HCID67200174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a813a62ac1a647fd9e5f5706c0fbd7a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[Cl:6].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([CH2:13][n:14]1[c:15]([CH2:31][CH2:32][CH3:33])[n:16][c:17]2[c:18]1[cH:19][cH:20][c:21]([NH:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[cH:22]2)=[O:34].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:53][CH2:54][Cl:55].[ClH:56]>>[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[N:23]([c:21]1[cH:20][cH:19][c:18]2[n:14]([CH2:13][C:12]([O:11][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:34])[c:15]([CH2:31][CH2:32][CH3:33])[n:16][c:17]2[cH:22]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1