HRID2137071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7498

alpha-Bromotoluene

C7H7Br

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID348843

Ethyl 3-(4-methoxyphenyl)propanoate

C12H16O3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID15714011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-57b11dabb60e42d487f92f8518baac06
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:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:19][cH:20]1.[CH3:43][N:44]([CH3:45])[P:46](=[O:47])([N:48]([CH3:49])[CH3:50])[N:51]([CH3:52])[CH3:53].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[ClH:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:42]>>[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:19][cH:20]1