HRID1236613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID80172

4-Cyanobenzoyl chloride

C8H4ClNO

结构：CC(C)(C)OC(=O)NC(COc1cccc(C#N)c1)CC(=O)OCc1ccccc1

HCID178453725

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(C(=O)NC(COc2cccc(C#N)c2)CC(=O)OCc2ccccc2)cc1

HCID178509877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8fcd02df5ff4b04b96e16fb6f307e82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([O:2][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH2:21][O:22][c:23]1[cH:24][c:25]([C:29]#[N:30])[cH:26][cH:27][cH:28]1)([CH3:3])([CH3:4])[CH3:5].[C:31](#[N:32])[c:33]1[cH:34][cH:35][c:36]([C:37]([Cl:38])=[O:39])[cH:40][cH:41]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:55].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1>>[C:6](=[O:7])([NH:8][CH:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH2:21][O:22][c:23]1[cH:24][c:25]([C:29]#[N:30])[cH:26][cH:27][cH:28]1)[c:36]1[cH:35][cH:34][c:33]([C:31]#[N:32])[cH:41][cH:40]1