HRID1559011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID86685452

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)C(C)(C)OB2O

HCID71575881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-184f8a465de7428ba79d6af6ce798aa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:75][C:76]#[N:77].[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:59].[ClH:74].[NH2:60][CH2:61][c:62]1[cH:63][c:64]2[c:65]([cH:72][cH:73]1)[B:66]([OH:71])[O:67][C:68]2([CH3:69])[CH3:70].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]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:60][CH2:61][c:62]4[cH:63][c:64]5[c:65]([cH:72][cH:73]4)[B:66]([OH:71])[O:67][C:68]5([CH3:69])[CH3:70])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1