HRID116281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1146

Trimethylamine

C3H9N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID68804332

未命名化合物

HCID178463256

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)COc1cc(F)c(C(C)(C)C)c(F)c1)c1ccc2nn[nH]c2c1

HCID178465231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c9981b5ccec40ff9abf9188289cfe17
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

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