HRID299627

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

HCID78928

2-Thiophenecarbonyl chloride

C5H3ClOS

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)c3cccs3)ccc2n1CC(=O)OC(C)(C)C

HCID67200248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8358c33249549788a094f4f251e3750
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

[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14]([CH2:15][n:16]1[c:17]([CH2:33][CH2:34][CH3:35])[n:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([NH:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[cH:24]2)=[O:36].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:55][CH2:56][Cl:57].[ClH:58].[s:1]1[c:2]([C:6](=[O:7])[Cl:8])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([C:6](=[O:7])[N:25]([c:23]2[cH:22][cH:21][c:20]3[n:16]([CH2:15][C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:36])[c:17]([CH2:33][CH2:34][CH3:35])[n:18][c:19]3[cH:24]2)[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:3][cH:4][cH:5]1