HRID670408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID69873

4-Phenylpiperidine

C11H15N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C1CCC(N2Cc3c(OCc4cccc(CBr)c4)cccc3C2=O)C(=O)N1

HCID67335917

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2Cc3c(OCc4cccc(CN5CCC(c6ccccc6)CC5)c4)cccc3C2=O)C(=O)N1

HCID67334508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-404f92b818b84cc580f7219adc46e764
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:4][CH2:5][c:6]1[cH:7][c:8]([CH2:9][O:10][c:11]2[c:12]3[c:16]([cH:17][cH:18][cH:19]2)[C:15](=[O:20])[N:14]([CH:21]2[C:22](=[O:28])[NH:23][C:24](=[O:27])[CH2:25][CH2:26]2)[CH2:13]3)[cH:29][cH:30][cH:31]1.[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH3:1][C:2]#[N:3].[OH2:53].[c:32]1([CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:5]([c:6]1[cH:7][c:8]([CH2:9][O:10][c:11]2[c:12]3[c:16]([cH:17][cH:18][cH:19]2)[C:15](=[O:20])[N:14]([CH:21]2[C:22](=[O:28])[NH:23][C:24](=[O:27])[CH2:25][CH2:26]2)[CH2:13]3)[cH:29][cH:30][cH:31]1)[N:41]1[CH2:40][CH2:39][CH:38]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:43][CH2:42]1