HRID2314201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：C[Si](C)(C)CCOC(=O)c1cn(-c2ccccc2)nc1NC(=O)OCc1cc2cc(-c3ccccc3)ccc2o1

HCID11330342

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nn(-c2ccccc2)cc1C(=O)O)OCc1cc2cc(-c3ccccc3)ccc2o1

HCID10161263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3798765cbcde4b808ad355ae01963093
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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