HRID173122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

HCID67388009

未命名化合物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1nc2ccccc2o1

HCID67388208

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1-c1nc2ccccc2o1

HCID67388003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12b97d072bdc4e99b333f2b4a38d68d7
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

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