HRID1136069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3051395

未命名化合物

HCID59170145

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nocc2C(=O)N2CC(O)(c3ccccc3)CC2C)cc1Cl

HCID59170209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8fddec43e924311ad45ebe3dae02ca0
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

[B-:27]([F:28])([F:29])([F:30])[F:31].[CH2:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH:23]([CH3:24])[CH3:25])[CH3:26].[CH3:49][CH:50]1[CH2:51][C:52]([OH:55])([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[CH2:53][NH:54]1.[Cl:1][c:2]1[cH:3][c:4](-[c:10]2[n:11][o:12][cH:13][c:14]2[C:15](=[O:16])[OH:17])[cH:5][cH:6][c:7]1[O:8][CH3:9].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:10]2[n:11][o:12][cH:13][c:14]2[C:15](=[O:17])[N:54]2[CH:50]([CH3:49])[CH2:51][C:52]([OH:55])([c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[CH2:53]2)[cH:5][cH:6][c:7]1[O:8][CH3:9]