HRID680762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1

HCID2795508

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid

C16H22N2O4

HCID15429169

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1

HCID54494373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-200f8e6bd26745e793c9798dc7595c94
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

[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]2)[CH2:11][CH2:12]1)[CH3:22].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:39][CH2:40][Cl:41].[Cl:51][CH:52]([Cl:53])[Cl:54].[ClH:23].[NH2:24][c:25]1[c:26]([CH3:38])[cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]1>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:24][c:25]3[c:26]([CH3:38])[cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]3)[cH:20][cH:21]2)[CH2:11][CH2:12]1)[CH3:22]