HRID2160770

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

HCID66054

Butanoyl chloride, 3-methyl-

C5H9ClO

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)CC(C)C)ccc2n1CC(=O)OC(C)(C)C

HCID67200170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42d29c3568eb4f20b9e4fcb1c8821766
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:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([CH2:14][n:15]1[c:16]([CH2:32][CH2:33][CH3:34])[n:17][c:18]2[c:19]1[cH:20][cH:21][c:22]([NH:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[cH:23]2)=[O:35].[CH3:1][CH:2]([CH2:3][C:4](=[O:5])[Cl:6])[CH3:7].[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:54][CH2:55][Cl:56].[ClH:57]>>[CH3:1][CH:2]([CH2:3][C:4](=[O:5])[N:24]([c:22]1[cH:21][cH:20][c:19]2[n:15]([CH2:14][C:13]([O:12][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:35])[c:16]([CH2:32][CH2:33][CH3:34])[n:17][c:18]2[cH:23]1)[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH3:7]