HRID209755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID10824

3-Methoxyaniline

C7H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID16086086

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C14H19BO4

PRODUCTS

生成物

结构：COc1cccc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1

HCID59791522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc36ec433eb746f3a28b8c6a5d7400e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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