HRID668062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8788

Benzylsuccinate

C11H12O4

HCID8857

Ethyl acetate

C4H8O2

结构：CCCCCC(CC(=O)Nc1cc(C(N)=O)ccc1C(C)(C)C)c1ccc(OC)cc1OC

HCID19348437

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(CC(=O)Nc1cc(C(=O)NC(=O)CCC(=O)OCc2ccccc2)ccc1C(C)(C)C)c1ccc(OC)cc1OC

HCID19348743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d73f6251c014fae8fe7ddcd50ac4313
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:16]([CH3:17])([CH3:18])([CH3:19])[c:20]1[c:21]([NH:29][C:30]([CH2:31][CH:32]([CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:38]2[c:39]([O:46][CH3:47])[cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)=[O:48])[cH:22][c:23]([C:26]([NH2:27])=[O:28])[cH:24][cH:25]1.[C:1]([CH2:2][CH2:3][C:4](=[O:5])[OH:6])(=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:49][C:50]#[N:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57]>>[C:1]([CH2:2][CH2:3][C:4](=[O:6])[NH:27][C:26]([c:23]1[cH:22][c:21]([NH:29][C:30]([CH2:31][CH:32]([CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:38]2[c:39]([O:46][CH3:47])[cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)=[O:48])[c:20]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:25][cH:24]1)=[O:28])(=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1