HRID102758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID69329

1-(Bromomethyl)-4-chlorobenzene

C7H6BrCl

HCID86645559

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccn(Cc3ccc(Cl)cc3)n2)sc1C(=O)NCc1cccnc1

HCID24956852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9546413d63d42fbbb6dab767c006be9
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

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