HRID289326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID169922

Methyl oxolane-2-carboxylate

C6H10O3

HCID23447255

tert-Butyl {[4-(bromomethyl)phenyl]methyl}carbamate

C13H18BrNO2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CCCO1

HCID59712499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74c35542c57143bfb07a090fcf8f58bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:37][cH:38]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:39].[NH4+:40].[O:13]1[CH:14]([C:18](=[O:19])[O:20][CH3:21])[CH2:15][CH2:16][CH2:17]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:52]>>[O:13]1[C:14]([C:18](=[O:19])[O:20][CH3:21])([CH2:23][c:24]2[cH:25][cH:26][c:27]([CH2:28][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:37][cH:38]2)[CH2:15][CH2:16][CH2:17]1