HRID2345087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID88944

3,5-Dimethyl-p-anisic acid

C10H12O3

HCID10130476

N-Ethyl-2-(piperazin-1-yl)pyridin-3-amine

C11H18N4

PRODUCTS

生成物

结构：CCNc1cccnc1N1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1

HCID455375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fab6f2686994692b2b596a3ef1fb923
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

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