HRID2322944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID1049

Pyridine

C5H5N

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

HCID19660

Carbonate

CO3-2

HCID10129898

未命名化合物

HCID23438025

7-Bromo-4-chloroquinoline-3-carbonitrile

C10H4BrClN2

PRODUCTS

生成物

结构：N#Cc1cnc2cc(Br)ccc2c1Nc1ccc(Oc2ccccc2)cc1

HCID23437881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d36950c9a4db463dadc17d3473f9856d
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

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