HRID199307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID62576

Benzyl bromoacetate

C9H9BrO2

HCID13461742

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)C1COC(=O)N1C(=O)C(CC(=O)OCc1ccccc1)Cc1ccccc1

HCID14429460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63ce166a538649ffaf3f3ef49e7a8b5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH:13]([CH3:14])([CH3:15])[CH:16]1[N:17]([C:22]([CH2:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:31])[C:18](=[O:21])[O:19][CH2:20]1.[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl-:44].[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[NH4+:45].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH:13]([CH3:14])([CH3:15])[CH:16]1[N:17]([C:22]([CH:23]([CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:33][C:34](=[O:35])[O:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:31])[C:18](=[O:21])[O:19][CH2:20]1