HRID1216722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID88069

4-Methylphthalic anhydride

C9H6O3

HCID4102151

3-amino-3-(3-ethoxy-4-methoxyphenyl)propanoic acid

C12H17NO4

PRODUCTS

生成物

结构：CCOc1cc(C(CC(=O)O)N2C(=O)c3ccc(C)cc3C2=O)ccc1OC

HCID21988664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3976353415d4cb9a739e79a26117ea0
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

[CH3:18][c:19]1[cH:20][c:21]2[c:22]([cH:28][cH:29]1)[C:23](=[O:24])[O:25][C:26]2=[O:27].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH3:42][C:43](=[O:44])[OH:45].[NH2:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[c:7]1[cH:8][c:9]([O:15][CH2:16][CH3:17])[c:10]([O:13][CH3:14])[cH:11][cH:12]1.[OH2:46]>>[N:1]1([CH:2]([CH2:3][C:4](=[O:5])[OH:6])[c:7]2[cH:8][c:9]([O:15][CH2:16][CH3:17])[c:10]([O:13][CH3:14])[cH:11][cH:12]2)[C:23](=[O:24])[c:22]2[c:21]([cH:20][c:19]([CH3:18])[cH:29][cH:28]2)[C:26]1=[O:25]