HRID1221049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID300

Chloroacetic acid

C2H3ClO2

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1ccc(Oc2ccc3nc(N)sc3c2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

HCID86646002

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)CCl)sc3c2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

HCID86655359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b443aa328a474954a9558f43c89fc42d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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-:33].[Cl:34][CH2:35][C:36](=[O:37])[OH:38].[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][cH:14][c:15]([CH3:32])[c:16]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]3)=[O:31])[cH:17]1)[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][cH:14][c:15]([CH3:32])[c:16]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]3)=[O:31])[cH:17]1)[cH:10]2)[C:36]([CH2:35][Cl:34])=[O:37]