HRID2146437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7812

4-Chloroaniline

C6H6ClN

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COc1cc2nccc(Oc3ccc4c(C(=O)O)coc4c3)c2cc1OC

HCID69018682

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)coc4c3)c2cc1OC

HCID57975990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5be293b2246493c96c125d527cc9c4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:28]([F:29])([F:30])([F:31])[F:32].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]4[c:19]([c:20]([C:23](=[O:24])[OH:25])[cH:21][o:22]4)[cH:26][cH:27]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[NH2:50][c:51]1[cH:52][cH:53][c:54]([Cl:55])[cH:56][cH:57]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]4[c:19]([c:20]([C:23](=[O:24])[NH:50][c:51]5[cH:52][cH:53][c:54]([Cl:55])[cH:56][cH:57]5)[cH:21][o:22]4)[cH:26][cH:27]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]