HRID1540372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID164401

3-Aminopyrrolidine

C4H10N2

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(N3CCC(N)C3)ccc2S(C)(=O)=O)c1OC

HCID67147360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c129c07573154549be75e951771cea02
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

[CH3:41][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.[NH:26]1[CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]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:26]3[CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]3)[cH:16]2)[cH:7]1