HRID153715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8857

Ethyl acetate

C4H8O2

结构：CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)sc2n1

HCID86646003

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)CCl)sc2n1

HCID86646004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7cbe333a8c246f2a10007d38ac328ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:34][CH2:35][C:36](=[O:37])[Cl:38].[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:20][C:21]([c:22]4[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[C:31]#[N:32])[cH:25][cH:26][cH:27]4)=[O:33])[cH:15][cH:16][c:17]3[CH2:18][CH3:19])[cH:7][cH:8][c:9]2[n:10]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:20][C:21]([c:22]4[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[C:31]#[N:32])[cH:25][cH:26][cH:27]4)=[O:33])[cH:15][cH:16][c:17]3[CH2:18][CH3:19])[cH:7][cH:8][c:9]2[n:10]1)[C:36]([CH2:35][Cl:34])=[O:37]