HRID161448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID19660

Carbonate

CO3-2

HCID93898

4-Chloro-2-fluoroaniline

C6H5ClFN

HCID10129898

未命名化合物

HCID22466646

7-(Benzyloxy)-4-chloro-6-methoxyquinoline-3-carbonitrile

C18H13ClN2O2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(Nc3ccc(Cl)cc3F)c(C#N)cnc2cc1OCc1ccccc1

HCID22466689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f0ef33f62f9421aa75f0fc3040a1566
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:22][CH3:23])[cH:11][c:12]2[c:13]([Cl:21])[c:14]([C:19]#[N:20])[cH:15][n:16][c:17]2[cH:18]1.[CH2:40]([O:41][CH:42]([OH:43])[CH3:44])[CH3:45].[Cl:24][c:25]1[cH:26][c:27]([F:32])[c:28]([NH2:29])[cH:30][cH:31]1.[ClH:33].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:52].[n:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:22][CH3:23])[cH:11][c:12]2[c:13]([NH:29][c:28]3[c:27]([F:32])[cH:26][c:25]([Cl:24])[cH:31][cH:30]3)[c:14]([C:19]#[N:20])[cH:15][n:16][c:17]2[cH:18]1.[ClH:21]