HRID191920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)CCc1cn(Cc2ccc(O)c(OC)c2)nc1OCC

HCID23021924

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cn(Cc2ccc(OCc3cccnc3)c(OC)c2)nc1OCC

HCID23021916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a084bc6f52ce4b389dbc9ec328e9d39f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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