HRID194796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID13843003

4-(3-Fluorophenyl)piperidine

C11H14FN

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：O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(c6cccc(F)c6)CC5)cc4)cccc3C2=O)C(=O)N1

HCID67334070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29ed4c7e7dda4c55b4b35ed16590ef63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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