HRID2335993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID1203613

4-(4-chlorophenyl)piperidine

C11H14ClN

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(c6ccc(Cl)cc6)CC5)c4)cccc3C2=O)C(=O)N1

HCID53354001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1088a042d3f7451fb9ced3c55aae0cb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[C:12](=[O:17])[N:11]([CH:18]2[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]2)[CH2:10]3)[cH:26][cH:27][cH:28]1.[CH2:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49])[CH3:50].[Cl:29][c:30]1[cH:31][cH:32][c:33]([CH:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:34][cH:35]1.[Cl:51][CH2:52][Cl:53].[OH2:54]>>[CH2:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[C:12](=[O:17])[N:11]([CH:18]2[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]2)[CH2:10]3)[cH:26][cH:27][cH:28]1)[N:39]1[CH2:38][CH2:37][CH:36]([c:33]2[cH:32][cH:31][c:30]([Cl:29])[cH:35][cH:34]2)[CH2:41][CH2:40]1