HRID1131854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID77575

2,2-Diphenylethylamine

C14H15N

HCID19874944

未命名化合物

PRODUCTS

生成物

结构：CC(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1c(C(C)C)cccc1C(C)C

HCID19874877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f973b39c2f064dcb8c7e73c1116d30df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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