HRID665122

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+

HCID68579844

未命名化合物

结构：Cc1[nH]c(C(=O)NC2CCN(c3cc(-c4ncon4)cc(Cl)n3)CC2)c(Cl)c1Cl

HCID86608316

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(N)cc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)n1

HCID68579878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-225940ac9230498782aaef9d28703e0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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