HRID146688

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)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O

HCID86685450

未命名化合物

HCID86685471

未命名化合物

PRODUCTS

生成物

结构：CCC1(CC)OB(O)c2cc(CNC(=O)c3ccc(C4=NOC(c5cc(Cl)c(Cl)c(Cl)c5)(C(F)(F)F)C4)cc3C)ccc21

HCID71576075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08f28e4cd8494b0cbb641b958db0538f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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