HRID176101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID62576

Benzyl bromoacetate

C9H9BrO2

HCID68382

(3H)-Benzofuran-2-one

C8H6O2

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID14303537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d390a43c3a1f430db008cc601c77707e
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:23][CH2:24][C:25](=[O:26])[O:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:35].[ClH:37].[NH4+:36].[O:13]1[C:14](=[O:22])[CH2:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[O:13]1[C:14](=[O:22])[CH:15]([CH2:24][C:25](=[O:26])[O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2