HRID203945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID8076

2-Ethoxyethanol

C4H10O2

HCID14774783

2-Bromo-4-chloro-5-methoxyaniline

C7H7BrClNO

HCID69372843

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2c(C#N)cnc3c2C=C2N=CN=C2C3)c(Br)cc1Cl

HCID69372430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-592aee7995b44f9f8ec03e46d562bd0d
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

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