HRID2136966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID589150

未命名化合物

HCID178418339

Butyllithium

C4H9Li

HCID178450295

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cc(C(O)(c3c[nH]cn3)C(C)C)ccc2c1OC

HCID178487497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-914a356ebdca49378753384ac21ba2c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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