HRID102046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID240

Benzaldehyde

C7H6O

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID13461742

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)C1COC(=O)N1C(=O)C(Cc1ccccc1)C(O)c1ccccc1

HCID178439736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-647f8a1b714348b2957814988790e6c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:40](=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl-:48].[Li+:20].[NH4+:49].[c:21]1([CH2:27][CH2:28][C:29](=[O:30])[N:31]2[C:32](=[O:39])[O:33][CH2:34][CH:35]2[CH:36]([CH3:37])[CH3:38])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:21]1([CH2:27][CH:28]([C:29](=[O:30])[N:31]2[C:32](=[O:39])[O:33][CH2:34][CH:35]2[CH:36]([CH3:37])[CH3:38])[CH:40]([OH:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1