HRID2321268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID14041

Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester

C9H15NO5

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID22178484

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccc(C(=O)CCCCc2ccccc2)cc1)(NC(C)=O)C(=O)OCC

HCID22178485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f85b746995c4916bef54bc562ecc120
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[C:11](=[O:12])[O:13][CH2:14][CH3:15].[CH3:17][CH2:18][O-:19].[CH3:42][CH2:43][OH:44].[I:20][CH2:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([C:29]([CH2:30][CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])[cH:27][cH:28]1.[Na+:16].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:41]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([C:11](=[O:12])[O:13][CH2:14][CH3:15])[CH2:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([C:29]([CH2:30][CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])[cH:27][cH:28]1