HRID125445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：COc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)sc2c1

HCID86655369

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2c1

HCID86655370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8c3489edd9e460ba1f8166ce9af0b6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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