HRID310201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COc1cc(Cl)cc(C(C)Nc2cc(F)ccc2S(C)(=O)=O)c1OC

HCID44240863

N-[1-(5-Chloro-2,3-dimethoxyphenyl)ethyl]-5-fluoro-2-(methanesulfonyl)aniline

C17H19ClFNO4S

PRODUCTS

产物

反应SMILES：COc1cc(Cl)cc(C(C)Nc2cc(N3CCN(C)CC3)ccc2S(C)(=O)=O)c1OC

HCID58707275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4533990a662e4e47ade70b98ddaaa93a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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