HRID2334195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID2763694

5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole

C11H9Cl2NS

HCID2763851

tert-Butyl 3-(hydroxymethyl)piperidine-1-carboxylate

C11H21NO3

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(Cl)cc2)sc1COCC1CCCN(C(=O)OC(C)(C)C)C1

HCID57572191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82ee33ba9ed34d26b55ab94007080c1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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