HRID179806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID19220

1-Benzyl-4-piperidone

C12H15NO

HCID89027

2-Bromo-5-chlorobenzoic acid

C7H4BrClO2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc21

HCID59833643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e677c3da7544477fb930a6333908c5e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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