HRID208108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID75962

3-(Trifluoromethyl)benzylamine

C8H8F3N

结构：N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Cl)cc2)c1

HCID22318884

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)cc2)c1

HCID22318908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-161e8106387c4b068d46d9614dc67724
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

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