HRID689799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13140

Acrylyl chloride

C3H3ClO

结构：C=CC(c1cccc(Cl)c1)C(NC(C1CC1)C1CC1)c1ccc(Cl)cc1

HCID76834836

未命名化合物

PRODUCTS

生成物

结构：C=CC(=O)N(C(c1ccc(Cl)cc1)C(C=C)c1cccc(Cl)c1)C(C1CC1)C1CC1

HCID70644333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-497c88cdf1b54543bd2f9ffa86e579a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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