HRID1234314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4837

Piperazine

C4H10N2

HCID6342

Acetonitrile

C2H3N

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(N3CCNCC3)ccc2S(C)(=O)=O)c1OC

HCID11532574

5-Chloro-2,3-dimethoxy-α-methyl-N-[2-(methylsulfonyl)-5-(1-piperazinyl)phenyl]benzenemethanamine

C21H28ClN3O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-35566e74d9b444418994c14378ee0f7d
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

[CH2:26]1[CH2:27][NH:28][CH2:29][CH2:30][NH:31]1.[CH3:41][C:42]#[N:43].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[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:28]3[CH2:27][CH2:26][NH:31][CH2:30][CH2:29]3)[cH:16]2)[cH:7]1