HRID119940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID57421

4-Methylsulfonylbenzylamine

C8H11NO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID66940568

未命名化合物

PRODUCTS

产物

HCID58026684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-aff184ae0af8465c855ee168ce99a49b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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