HRID677290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID544751

4-(4-Methylphenyl)piperidine

C12H17N

结构：O=C1CCC(N2Cc3c(OCc4ccc(CBr)cc4)cccc3C2=O)C(=O)N1

HCID58389196

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C2CCN(Cc3ccc(COc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)CC2)cc1

HCID67335180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb5aed65e8c47e5b45f2219530f708a
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:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[C:13](=[O:18])[N:12]([CH:19]2[C:20](=[O:26])[NH:21][C:22](=[O:25])[CH2:23][CH2:24]2)[CH2:11]3)[cH:27][cH:28]1.[CH2:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49])[CH3:50].[CH3:51][C:52]#[N:53].[c:29]1([CH3:41])[cH:30][cH:31][c:32]([CH:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:33][cH:34]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[C:13](=[O:18])[N:12]([CH:19]2[C:20](=[O:26])[NH:21][C:22](=[O:25])[CH2:23][CH2:24]2)[CH2:11]3)[cH:27][cH:28]1)[N:38]1[CH2:37][CH2:36][CH:35]([c:32]2[cH:31][cH:30][c:29]([CH3:41])[cH:34][cH:33]2)[CH2:40][CH2:39]1