HRID811110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2736085

2,5-Dichloronicotinic acid

C6H3Cl2NO2

HCID67099037

未命名化合物

PRODUCTS

生成物

结构：N=C(COCCc1cc(F)ccc1F)NC(=O)c1cc(Cl)cnc1Cl

HCID140520077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf0a52d6324b4201bdbcf3db516b4d11
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[B-:12]([F:13])([F:14])([F:15])[F:16].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([Cl:11])[cH:9][n:10]1.[Cl:64][CH2:65][Cl:66].[ClH:43].[F:44][c:45]1[c:46]([CH2:52][CH2:53][O:54][CH2:55][C:56](=[NH:57])[NH2:58])[cH:47][c:48]([F:51])[cH:49][cH:50]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:67].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:58][C:56]([CH2:55][O:54][CH2:53][CH2:52][c:46]2[c:45]([F:44])[cH:50][cH:49][c:48]([F:51])[cH:47]2)=[NH:57])[cH:7][c:8]([Cl:11])[cH:9][n:10]1