HRID1133187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID688292

2-Fluoro-5-(trifluoromethyl)benzoic acid

C8H4F4O2

HCID69258890

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1c(-c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2)csc1N

HCID10137100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1702f785fb164e78b50b35fe8a7dd7da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[F:17][c:18]1[c:19]([C:20](=[O:21])[OH:22])[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1.[NH2:1][c:2]1[s:3][cH:4][c:5](-[c:10]2[cH:11][cH:12][c:13]([NH2:16])[cH:14][cH:15]2)[c:6]1[C:7](=[O:8])[NH2:9].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[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>>[NH2:1][c:2]1[s:3][cH:4][c:5](-[c:10]2[cH:11][cH:12][c:13]([NH:16][C:20]([c:19]3[c:18]([F:17])[cH:26][cH:25][c:24]([C:27]([F:28])([F:29])[F:30])[cH:23]3)=[O:21])[cH:14][cH:15]2)[c:6]1[C:7](=[O:8])[NH2:9]