HRID2324109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID2734370

3-Methoxyphenylboronic acid

C7H9BO3

结构：CCOC(=O)N1C2CCC1CC(N1CCC3(CC1)CNCc1ccccc13)C2

HCID58089661

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(c1cccc(OC)c1)Cc1ccccc13)C2

HCID58089606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1cbb08de6fd43c783851cfc51e3996a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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