HRID1234950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID66279

1-Propanesulfonyl chloride

C3H7ClO2S

结构：COC(=O)c1ccc(-c2noc(-c3ccc(N4CCCCC4C)c(N)c3)n2)cc1F

HCID67528581

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1cc(-c2nc(-c3ccc(C(=O)OC)c(F)c3)no2)ccc1N1CCCCC1C

HCID67529191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6be9aa6c64ed4945a0eee5ee19cfb42d
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

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