HRID1220959

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：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O

HCID23159811

未命名化合物

HCID86685476

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccc2c(c1)B(O)OC2(CF)CF

HCID71576076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-170cd96b320343b48c58222f40024be8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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