HRID696306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78345

Pyrimidine, 2-bromo-

C4H3BrN2

结构：CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Br)cc2)CC1

HCID18379557

tert-Butyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate

C16H22BrNO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(O)(c2ccc(-c3ncccn3)cc2)CC1

HCID58946425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbfed189f4a84e2199afae5a66947b10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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