HRID1121595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31275

1,4-Dioxane

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：CC(C)(C)OC(=O)Nc1cc(NCCO)c(I)cc1[N+](=O)[O-]

HCID70001287

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCOC2=O)c(I)cc1[N+](=O)[O-]

HCID70003528

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCOC2=O)c(-c2ccc(F)cc2)cc1[N+](=O)[O-]

HCID70002370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bf3144ed232404eabb6c5074bc1fe9e
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

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