HRID92948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11470

4-Acetylbenzoic acid

C9H8O3

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID10633339

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)OC(C)(C)C)cc3c2)cc1

HCID59365009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8299ff929b734ceca2635f1ef4d0ecf8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:30]([F:31])([F:32])([F:33])[F:34].[C:18]([CH3:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1.[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[NH2:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[nH:7][c:8]2[cH:9][cH:10]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[NH:1]([c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[nH:7][c:8]2[cH:9][cH:10]1)[C:25]([c:24]1[cH:23][cH:22][c:21]([C:18]([CH3:19])=[O:20])[cH:29][cH:28]1)=[O:26]