HRID699781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID17818

5-Amino-2-methylphenol

C7H9NO

HCID10129898

未命名化合物

结构：COc1cc2c(Cl)c(C#N)cnc2cc1OCCCc1ccncc1

HCID21697321

4-Chloro-6-methoxy-7-[3-(4-pyridinyl)propoxy]-3-quinolinecarbonitrile

C19H16ClN3O2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(Nc3ccc(C)c(O)c3)c(C#N)cnc2cc1OCCCc1ccncc1

HCID11503081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-512e147c620240098da171ba7f5b9bc9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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