HRID2156825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：Cc1c(CCC(=O)N2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12

HCID22141190

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CCCN2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12

HCID22141356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8b944403a144d1faf7e2b0e7d60a9df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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