HRID1137326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID19710328

4-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one

C9H6ClFO

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID10978626

Ethyl 4-chloro-6-fluoro-2,3-dihydro-1-hydroxy-1H-indene-1-acetate

C13H14ClFO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ad62351645c411782fbdb516bc1cbe4
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

[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[CH3:1][CH2:2][O:3][C:4]([CH3:5])=[O:6].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH:20]([NH:21][CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[CH:7]([N-:8][CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[Cl-:39].[Cl:27][c:28]1[c:29]2[c:33]([cH:34][c:35]([F:37])[cH:36]1)[C:32](=[O:38])[CH2:31][CH2:30]2.[Li+:14].[NH4+:40].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:52]>>[CH3:1][CH2:2][O:3][C:4]([CH2:5][C:32]1([OH:38])[CH2:31][CH2:30][c:29]2[c:28]([Cl:27])[cH:36][c:35]([F:37])[cH:34][c:33]21)=[O:6]