HRID169792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID10850590

未命名化合物

HCID22111003

N-[Bis(4-fluorophenyl)methyl]piperidin-4-amine

C18H20F2N2

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(NC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2

HCID22111103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc9b003728294f8b916f01335bdf7915
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][CH2:2][C:3]1([CH3:16])[O:4][c:5]2[c:6]([c:8]([CH3:15])[c:9]([NH2:14])[c:10]([CH3:13])[c:11]2[CH3:12])[CH2:7]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[F:17][c:18]1[cH:19][cH:20][c:21]([CH:24]([NH:25][CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)[cH:22][cH:23]1.[K+:43].[K+:44].[OH2:51]>>[CH2:2]([C:3]1([CH3:16])[O:4][c:5]2[c:6]([c:8]([CH3:15])[c:9]([NH2:14])[c:10]([CH3:13])[c:11]2[CH3:12])[CH2:7]1)[N:29]1[CH2:28][CH2:27][CH:26]([NH:25][CH:24]([c:21]2[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]2)[c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)[CH2:31][CH2:30]1