HRID2325709

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(-c3ccc(C(F)(F)F)c(Cl)c3)ccc2[nH]1

HCID178508152

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2cc(-c3ccc(C(F)(F)F)c(Cl)c3)ccc2[nH]1)c1cn2nc(Cl)ccc2n1

HCID178522479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d947617a2e94cbdb8e4105c604b7031
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

[BrH:47].[C:69](=[O:70])([OH:71])[O-:72].[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.[Cl:48][c:49]1[cH:50][c:51](-[c:59]2[cH:60][c:61]3[c:62]([nH:63][c:64]([NH2:66])[n:65]3)[cH:67][cH:68]2)[cH:52][cH:53][c:54]1[C:55]([F:56])([F:57])[F:58].[Na+:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[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:66][c:64]1[nH:63][c:62]3[c:61]([cH:60][c:59](-[c:51]4[cH:50][c:49]([Cl:48])[c:54]([C:55]([F:56])([F:57])[F:58])[cH:53][cH:52]4)[cH:68][cH:67]3)[n:65]1)[n:10]2