HRID956429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID5360545

Sodium

结构：CON(C)C(=O)C=Cc1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C

HCID73993148

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(=O)C=Cc1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C

HCID69239377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-975a7860b325401681ed9700951ff0df
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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