HRID948294

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

HCID3163333

1-isopropylpiperidin-4-amine

C8H18N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：O=C(O)c1nc2cccnc2n1Cc1cc(-c2ccc(Cl)s2)on1

HCID68615288

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(NC(=O)c2nc3cccnc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

HCID67012695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d3ee32fe2ff448f84bacb7950ebe268
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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