HRID143629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID70700842

3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde

C11H9FN2O

HCID86602480

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2ccc(C=C(CCCCl)C(=O)OC(C)(C)C)cc2F)cn1

HCID77588505

Tert-butyl 5-chloro-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoate

C20H24ClFN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb850ad7e13e47daa42ee792c2d4591b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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