HRID2139804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID2773341

4-Bromo-3-fluorobenzoic acid

C7H4BrFO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1

HCID58484677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2e077e444864899b28858727f2534d1
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

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