HRID187793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID22502264

3-Amino-5-(trifluoromethyl)benzonitrile

C8H5F3N2

HCID58218786

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)(C(C)C)CC1=O

HCID67092783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4adcfc666c145628dd90621f034cc6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][C:11]([C:15](=[O:16])[OH:17])([CH:18]([CH3:19])[CH3:20])[CH2:12][C:13]2=[O:14])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:21][S:22](=[O:23])(=[O:24])[Cl:25].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[NH2:35][c:36]1[cH:37][c:38]([C:39]#[N:40])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1>>[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][C:11]([C:15](=[O:16])[NH:35][c:36]3[cH:37][c:38]([C:39]#[N:40])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]3)([CH:18]([CH3:19])[CH3:20])[CH2:12][C:13]2=[O:14])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1