HRID1546794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID717021

5-cyclopropyl-1,3,4-thiadiazol-2-amine

C5H7N3S

结构：COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)Cl)cc1

HCID4454576

4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl chloride

C16H15Cl2NO4S

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1

HCID57586818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-556c79a2ebdb4306b1b47bb15cc5e781
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

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