HRID182504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7973

2-Bromopyridine

C5H4BrN

HCID8028

Tetrahydrofuran

C4H8O

HCID178418339

Butyllithium

C4H9Li

结构：O=Cc1cccc(C(=O)C(C(=O)c2cccc(F)c2)=C2Nc3ccccc3N2)c1

HCID178519574

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(C(C(=O)c1cccc(C(O)c2ccccn2)c1)=C1Nc2ccccc2N1)c1cccc(F)c1

HCID178520866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cae212b1761748e697a6c76b64139f6b
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:1][c:2]1[cH:3][cH:4][cH:5][cH:6][n:7]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[Cl-:42].[NH4+:43].[NH:13]1[C:14](=[C:22]([C:23](=[O:24])[c:25]2[cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31][cH:32]2)[C:33](=[O:34])[c:35]2[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]2)[NH:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[ClH:42].[c:2]1([CH:28]([c:27]2[cH:26][c:25]([C:23]([C:22](=[C:14]3[NH:13][c:17]4[c:16]([cH:21][cH:20][cH:19][cH:18]4)[NH:15]3)[C:33](=[O:34])[c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]3)=[O:24])[cH:32][cH:31][cH:30]2)[OH:29])[cH:3][cH:4][cH:5][cH:6][n:7]1