HRID1212209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8868

Ethyl acetoacetate

C6H10O3

HCID166653

Hydride

H-

结构：CON(C)C(=O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID54223908

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(=O)CC(=O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID54545150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89b73951b52340d5b5984b849dc6026b
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

[C:3]([CH2:4][C:5](=[O:6])[CH3:7])(=[O:8])[O:9][CH2:10][CH3:11].[CH3:45][C:46](=[O:47])[OH:48].[CH:17]1([c:20]2[n:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[c:28](-[c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)[c:29]2[CH:30]=[CH:31][C:32](=[O:33])[N:34]([O:35][CH3:36])[CH3:37])[CH2:18][CH2:19]1.[Cl-:49].[H-:1].[Li:12][CH2:13][CH2:14][CH2:15][CH3:16].[Na+:2].[Na+:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56]>>[C:3]([CH2:4][C:5](=[O:6])[CH2:7][C:32]([CH:31]=[CH:30][c:29]1[c:20]([CH:17]2[CH2:18][CH2:19]2)[n:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[c:28]1-[c:38]1[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]1)=[O:33])(=[O:8])[O:9][CH2:10][CH3:11]