HRID88682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID92980

3-Piperidinecarboxamide

C6H12N2O

结构：COc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCCl

HCID23078272

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCN1CCCC(C(N)=O)C1

HCID57756551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42dfc91bd82c4ebfaac38529c4a839bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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