HRID1208944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID16679314

4-(2,4-Difluorophenyl)piperidine

C11H13F2N

结构：O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CBr)cc4)c3C2=O)C(=O)N1

HCID67334102

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(F)cc6F)CC5)cc4)c3C2=O)C(=O)N1

HCID58389296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51a9ff2bac8049f4aca98503d22d2730
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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)[C:11]3=[O:27])[cH:28][cH:29]1.[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[Cl:53][CH2:54][Cl:55].[F:30][c:31]1[c:32]([CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:33][cH:34][c:35]([F:37])[cH:36]1.[OH2:56]>>[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)[C:11]3=[O:27])[cH:28][cH:29]1)[N:41]1[CH2:40][CH2:39][CH:38]([c:32]2[c:31]([F:30])[cH:36][c:35]([F:37])[cH:34][cH:33]2)[CH2:43][CH2:42]1