HRID126039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1ccc(Cc2c[nH]c3ccc(C#N)cc23)c(OC)c1

HCID14882553

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cc2c[nH]c3ccc(C=O)cc23)c(OC)c1

HCID14882554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4b5d603738243259210771a84a8e9fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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