HRID1570246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID74740

Benzenemethanesulfonyl chloride

C7H7ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID17788716

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(OCCNC(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)c1

HCID68831603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccf3958a138c4092b47a4c00dd0905bb
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

[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]2)[cH:20][cH:21]1.[c:31]1([CH2:37][S:38](=[O:39])(=[O:40])[Cl:41])[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]2)[cH:20][cH:21]1)[S:38]([CH2:37][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)(=[O:39])=[O:40]