HRID697887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID14051936

5-(Trifluoromethyl)pyridin-3-amine

C6H5F3N2

结构：Cc1ccc(C(=O)O)cc1-c1ccc2c(c1)[nH]c1ncncc12

HCID69047068

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1-c1ccc2c(c1)[nH]c1ncncc12

HCID25151288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0dcd1eca94541b2a1e3d04b337440be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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