HRID662413

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

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID16217800

tert-Butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate

C12H24N2O3

PRODUCTS

生成物

HCID15946517

tert-Butyl 4-(3-bromopropyl)piperazine-1-carboxylate

C12H23BrN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-059054ad388c408f8ba299c1c42c1ae8
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:37][C:38]([Br:39])([Br:40])[Br:41].[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][CH2:35][OH:36])[CH2:31][CH2:32]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][CH2:35][Br:37])[CH2:31][CH2:32]1