HRID1206670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：O=C1CCN(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc21

HCID10522118

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2C1=O

HCID14501493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f60a66df8274aa7ad84ee52ab5bd6be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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