HRID1130724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)O)cn1

HCID68444859

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1

HCID57520179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b5014a67ac84f3b8fd03aa8ab0b20ad
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

[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[cH:5][cH:6][cH:7]1.[F:25][B-:26]([F:27])([F:28])[F:29].[F:56][C:57]([CH2:58][NH2:59])([F:60])[F:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:21])[NH:59][CH2:58][C:57]([F:56])([F:60])[F:61])[cH:22][cH:23]2)[cH:5][cH:6][cH:7]1