HRID1566063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID67334102

未命名化合物

PRODUCTS

产物

反应SMILES：O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(c6ccc(F)cc6)CC5)cc4)c3C2=O)C(=O)N1

HCID67333690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e47110c566f5405fa43cf2fd9b8b194f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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