HRID820377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6495

2,2-Dimethoxypropane

C5H12O2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：CC(C)(C)OC(=O)Nc1cc(N2CC3OC(C)(C)OC3C2)c(I)cc1[N+](=O)[O-]

HCID70002769

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cc(N2CC(O)C(O)C2)c(I)cc1[N+](=O)[O-]

HCID178452822

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(N2CC3OC(C)(C)OC3C2)c(-c2ccc(F)cc2)cc1[N+](=O)[O-]

HCID70004215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0abc8e39979d4bcf9f527ac1b960e109
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:25](=[O:26])[O-:27])[cH:10][c:11]([I:24])[c:12]([N:14]2[CH2:15][CH:16]3[CH:17]([CH2:18]2)[O:19][C:20]([CH3:22])([CH3:23])[O:21]3)[cH:13]1)=[O:28].[C:29]([O:30][C:31](=[O:32])[NH:33][c:34]1[cH:35][c:36]([N:37]2[CH2:38][CH:39]([OH:40])[CH:41]([OH:42])[CH2:43]2)[c:44]([I:45])[cH:46][c:47]1[N+:48]([O-:49])=[O:50])([CH3:51])([CH3:52])[CH3:53].[CH3:54][O:55][C:56]([O:57][CH3:58])([CH3:59])[CH3:60].[CH3:61][c:62]1[cH:63][cH:64][c:65]([S:66]([OH:67])(=[O:68])=[O:69])[cH:70][cH:71]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH2:72].[OH:73][B:74]([OH:75])[c:76]1[cH:77][cH:78][c:79]([F:80])[cH:81][cH:82]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:25](=[O:26])[O-:27])[cH:10][c:11](-[c:76]2[cH:77][cH:78][c:79]([F:80])[cH:81][cH:82]2)[c:12]([N:14]2[CH2:15][CH:16]3[CH:17]([CH2:18]2)[O:19][C:20]([CH3:22])([CH3:23])[O:21]3)[cH:13]1)=[O:28]