HRID173993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10899

1-Chloropropane

C3H7Cl

HCID24648

Sulfuryl chloride

Cl2O2S

结构：NC(=O)c1cc(-c2cccc(F)c2)cc2c(C3CCNCC3)n[nH]c12

HCID178513539

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cc(-c2cccc(F)c2)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)n[nH]c12

HCID178513540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-161a85574b9e4964a4e8fa8d175f2399
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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