HRID2158425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

HCID72863

5-Bromosalicylaldehyde

C7H5BrO2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

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

HCID23508726

tert-Butyl 4-(3-formyl-4-hydroxyphenyl)piperazine-1-carboxylate

C16H22N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec219a8e7d5d48549ad07f0ad91b1707
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:14][c:15]1[cH:16][cH:17][c:18]([OH:23])[c:19]([CH:20]=[O:21])[cH:22]1.[C:1]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])([CH3:11])([CH3:12])[CH3:13].[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.[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:60][C:61](=[O:62])[OH:63].[Na+:42].[OH2:64].[Pd+2:54].[Pd:59]>>[c:15]1([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:16][cH:17][c:18]([OH:23])[c:19]([CH:20]=[O:21])[cH:22]1