HRID1219415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID2724942

未命名化合物

HCID10585741

4-(3,4-difluorophenoxy)benzaldehyde

C13H8F2O2

HCID16757254

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1

HCID16756754

N-(3-{1-[4-(3,4-Difluorophenoxy)benzyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide

C29H32F2N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32e3d8393a5c4081ac90b9728ba02655
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

[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:18][CH:19]([C:20](=[O:21])[NH:22][c:23]1[cH:24][c:25]([CH:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[c:26]([CH3:29])[cH:27][cH:28]1)[CH3:36].[Cl:55][CH2:56][CH2:57][Cl:58].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH:10]=[O:11])[cH:12][cH:13]2)[cH:14][cH:15][c:16]1[F:17].[Na+:50]>>[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH2:10][N:33]3[CH2:32][CH2:31][CH:30]([c:25]4[cH:24][c:23]([NH:22][C:20]([CH:19]([CH3:18])[CH3:36])=[O:21])[cH:28][cH:27][c:26]4[CH3:29])[CH2:35][CH2:34]3)[cH:12][cH:13]2)[cH:14][cH:15][c:16]1[F:17]