HRID1126348

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

HCID67247370

未命名化合物

HCID86685452

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OB(O)c2ccc(CNC(=O)c3ccc(C4=NOC(c5cc(Cl)cc(Cl)c5)(C(F)(F)F)C4)n4cccc34)cc21

HCID71576473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0645e200f6734f61b86958ba4c01ed4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:77][C:78]#[N:79].[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:61].[ClH:76].[NH2:62][CH2:63][c:64]1[cH:65][c:66]2[c:67]([cH:74][cH:75]1)[B:68]([OH:73])[O:69][C:70]2([CH3:71])[CH3:72].[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: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])[NH:62][CH2:63][c:64]4[cH:65][c:66]5[c:67]([cH:74][cH:75]4)[B:68]([OH:73])[O:69][C:70]5([CH3:71])[CH3:72])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1