HRID158735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID7972

4-Methylmorpholine

C5H11NO

HCID306109

未命名化合物

HCID12918956

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(C)=O)C(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1

HCID178446403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2162577ec03246a58f0d50697ff9cfae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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