HRID91624

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-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2783262

3,5-difluoropicolinic acid

C6H3F2NO2

HCID58155258

未命名化合物

PRODUCTS

生成物

结构：CC1(c2cccc(NC(=O)c3ncc(F)cc3F)c2)COCC(=O)N1

HCID66931532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42f1710c3b0c4debb93d96c1bc93f898
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

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