HRID162261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2737360

2-Fluoro-6-methoxybenzoic acid

C8H7FO3

HCID4641409

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

C10H15N6O+

结构：C[Si](C)(C)CCOCn1cc(Br)c2c(Oc3ccc(N)cc3F)ccnc21

HCID21081659

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(F)c1C(=O)Nc1ccc(Oc2ccnc3c2c(Br)cn3COCC[Si](C)(C)C)c(F)c1

HCID21081788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-818eb123ef754eb4aa4a36124e6aa0df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[c:5]2[n:6][cH:7][cH:8][c:9]([O:11][c:12]3[c:13]([F:19])[cH:14][c:15]([NH2:18])[cH:16][cH:17]3)[c:10]12.[CH3:78][N:79]([c:80]1[cH:81][cH:82][n:83][cH:84][cH:85]1)[CH3:86].[CH3:87][CH2:88][O:89][C:90]([CH3:91])=[O:92].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[F:28][c:29]1[c:30]([C:31](=[O:32])[OH:33])[c:34]([O:38][CH3:39])[cH:35][cH:36][cH:37]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[Br:1][c:2]1[cH:3][n:4]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[c:5]2[n:6][cH:7][cH:8][c:9]([O:11][c:12]3[c:13]([F:19])[cH:14][c:15]([NH:18][C:31]([c:30]4[c:29]([F:28])[cH:37][cH:36][cH:35][c:34]4[O:38][CH3:39])=[O:32])[cH:16][cH:17]3)[c:10]12