HRID90025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6328

Methyl iodide

CH3I

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID139903779

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(Br)cc2c1OC1CC=CC21

HCID139903786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebe9da37472b4f3293c7e51616b8d749
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

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