HRID304053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID138100

Piperidine, 4,4-dimethyl-

C7H15N

结构：COC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc(CCl)cc3)cccc2C1=O

HCID67334081

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc(CN4CCC(C)(C)CC4)cc3)cccc2C1=O

HCID67334163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b87c2ed9d5e415fa9144d28798706f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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