HRID818546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)n2cccc12

HCID67247370

未命名化合物

HCID86685476

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc2c(c1)B(O)OC2(CF)CF)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)n2cccc12

HCID71575779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d03ff37b32c4006b1200ebc5b94a18e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:26]([F:27])([F:28])[F:29])[CH2:10][C:11]([c:14]3[n:15]4[cH:16][cH:17][cH:18][c:19]4[c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[ClH:63].[NH2:64][CH2:65][c:66]1[cH:67][cH:68][c:69]2[c:70]([cH:79]1)[B:71]([OH:78])[O:72][C:73]2([CH2:74][F:75])[CH2:76][F:77].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:26]([F:27])([F:28])[F:29])[CH2:10][C:11]([c:14]3[n:15]4[cH:16][cH:17][cH:18][c:19]4[c:20]([C:23](=[O:25])[NH:64][CH2:65][c:66]4[cH:67][cH:68][c:69]5[c:70]([cH:79]4)[B:71]([OH:78])[O:72][C:73]5([CH2:74][F:75])[CH2:76][F:77])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1