HRID2126428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

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+

HCID86685483

未命名化合物

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

HCID86685524

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OB(O)c2cc(CCNC(=O)c3ccc(C4=NOC(c5cc(Cl)c(Cl)c(Cl)c5)(C(F)(F)F)C4)n4cccc34)ccc21

HCID71575834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-866ac4a44e9c4a8aa96877c43506f8fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:27]([F:28])([F:29])[F:30])[CH2:11][C:12]([c:15]3[n:16]4[cH:17][cH:18][cH:19][c:20]4[c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[Cl:8].[ClH:64].[NH2:65][CH2:66][CH2:67][c:68]1[cH:69][cH:70][c:71]2[c:72]([cH:79]1)[B:73]([OH:78])[O:74][C:75]2([CH3:76])[CH3:77].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:85].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:27]([F:28])([F:29])[F:30])[CH2:11][C:12]([c:15]3[n:16]4[cH:17][cH:18][cH:19][c:20]4[c:21]([C:24](=[O:25])[NH:65][CH2:66][CH2:67][c:68]4[cH:69][cH:70][c:71]5[c:72]([cH:79]4)[B:73]([OH:78])[O:74][C:75]5([CH3:76])[CH3:77])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[Cl:8]