HRID2331479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID89906

2-Bromo-5-methoxybenzoic acid

C8H7BrO3

HCID130500

未命名化合物

结构：COC(=O)C(N)Cc1ccc(-c2cc(Br)cn(C)c2=O)cc1

HCID22382015

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2cc(Br)cn(C)c2=O)cc1)NC(=O)c1cc(OC)ccc1Br

HCID22382032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98ebdeabf2c04b3f8775540fd26b227a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:24][c:25]1[c:26]([C:27](=[O:28])[OH:29])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1.[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](=[O:22])[n:16]([CH3:21])[cH:17][c:18]([Br:20])[cH:19]2)[cH:12][cH:13]1)=[O:23].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:1].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH3:2][O:3][C:4]([CH:5]([NH:6][C:27]([c:26]1[c:25]([Br:24])[cH:33][cH:32][c:31]([O:34][CH3:35])[cH:30]1)=[O:28])[CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](=[O:22])[n:16]([CH3:21])[cH:17][c:18]([Br:20])[cH:19]2)[cH:12][cH:13]1)=[O:23]