HRID314616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2794637

6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid

C7H4ClN3O2

结构：Nc1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]1

HCID178508150

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]1)c1cn2nc(Cl)ccc2n1

HCID178522475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-500883fc8bb94640a9f79a6d69912724
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BrH:47].[C:68](=[O:69])([OH:70])[O-:71].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([C:11](=[O:12])[OH:13])[n:10]2.[F:48][C:49]([c:50]1[cH:51][c:52](-[c:56]2[cH:57][c:58]3[c:59]([nH:60][c:61]([NH2:63])[n:62]3)[cH:64][cH:65]2)[cH:53][cH:54][cH:55]1)([F:66])[F:67].[Na+:72].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([C:11](=[O:13])[NH:63][c:61]1[nH:60][c:59]3[c:58]([cH:57][c:56](-[c:52]4[cH:51][c:50]([C:49]([F:48])([F:66])[F:67])[cH:55][cH:54][cH:53]4)[cH:65][cH:64]3)[n:62]1)[n:10]2