HRID834267

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-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID57892527

未命名化合物

HCID57892543

未命名化合物

PRODUCTS

生成物

结构：CC(O)(c1ccc(C(=O)N(C2CCC(CCC#N)CC2)C2CC2)cc1)C(F)(F)F

HCID56677340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa2e13c34d1541daa12a353496182777
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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