HRID694623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID15087784

tert-Butyl 2-methylpiperazine-1-carboxylate

C10H20N2O2

HCID59520437

Methyl (3-chloro-4-formylphenyl)acetate

C10H9ClO3

结构：CC1CN(Cc2ccc(Br)cc2)CCN1C(=O)OCc1ccccc1

HCID178430237

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(Cl)c1

HCID178499417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a867e5c212724c08bc9ad4d9e428a113
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:30][c:31]1[cH:32][cH:33][c:34]([CH2:35][N:36]2[CH2:37][CH2:38][N:39]([C:40]([O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)=[O:49])[CH:50]([CH3:51])[CH2:52]2)[cH:53][cH:54]1.[CH3:16][CH:17]1[N:18]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:19][CH2:20][NH:21][CH2:22]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:1][c:2]1[cH:3][c:4]([CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:5][cH:6][c:7]1[CH:8]=[O:9].[ClH:15]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:5][cH:6][c:7]1[CH2:8][N:21]1[CH2:20][CH2:19][N:18]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH:17]([CH3:16])[CH2:22]1