HRID2140951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID14546

2,4-Dichlorocinnamic acid

C9H6Cl2O2

HCID134826

4-Chlorobenzylpiperazine

C11H15ClN2

PRODUCTS

生成物

结构：O=C(C=Cc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1

HCID53672935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10b0d465e3c243afa4db72baeff82f69
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

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