HRID1201697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID43224

5-Methoxy-3-(piperidin-4-yl)-1H-indole

C14H18N2O

HCID137487

Cyclohexylamine, N,N-dimethyl-1-phenyl-

C14H21N

PRODUCTS

生成物

结构：COc1ccc2[nH]cc(C3CCN(C4CCC(c5ccccc5)(N(C)C)CC4)CC3)c2c1

HCID10029113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0688ecdbb9674e54bafd65a34bec5678
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

[CH3:18][N:19]([C:20]1([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1)[CH3:32].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:7][nH:8][c:9]2[cH:10][cH:11]1.[CH3:33][C:34](=[O:35])[OH:36].[Cl:37][CH2:38][CH2:39][Cl:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][N:15]([CH:23]4[CH2:22][CH2:21][C:20]([N:19]([CH3:18])[CH3:32])([c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[CH2:25][CH2:24]4)[CH2:16][CH2:17]3)[cH:7][nH:8][c:9]2[cH:10][cH:11]1