HRID1566336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)sc2c1

HCID86655383

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2c1

HCID86655384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ba20d49147940d181a8d10639aeaa1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1.[CH:33]1([C:36](=[O:37])[Cl:38])[CH2:34][CH2:35]1.[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]3[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]3)=[O:32])[cH:15][cH:16][c:17]1[CH3:18])[cH:10]2>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]3[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]3)=[O:32])[cH:15][cH:16][c:17]1[CH3:18])[cH:10]2)[C:36]([CH:33]1[CH2:34][CH2:35]1)=[O:37]