HRID1144111

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

HCID31405

2,6-Di-tert-butylphenol

C14H22O

结构：CCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CC1

HCID21260991

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CCC1

HCID21261033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c31a54254a44abc8f133f9719ae4338
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:42]([c:43]1[cH:44][cH:45][cH:46][c:47]([C:48]([CH3:49])([CH3:50])[CH3:51])[c:52]1[OH:53])([CH3:54])([CH3:55])[CH3:56].[CH2:19]([CH3:20])[O:21][C:22](=[O:23])[C:24]1([CH:27]2[CH:28]([F:41])[C:29](=[O:40])[N:30]([CH:32]([CH3:33])[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:31]2)[CH2:25][CH2:26]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:57].[NH4+:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH2:1]1[CH2:25][C:24]([C:22]([O:21][CH2:19][CH3:20])=[O:23])([CH:27]2[CH:28]([F:41])[C:29](=[O:40])[N:30]([CH:32]([CH3:33])[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:31]2)[CH2:26]1