HRID1226966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID39047

2,6-Dichloroterephthalic acid

C8H4Cl2O4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID98089

1-(1-Naphthyl)ethylamine

C12H13N

HCID130500

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cc(Cl)c(C(=O)O)c(Cl)c1)c1cccc2ccccc12

HCID22661203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a570946d3df427d8e09313bf798b4aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH2:67][CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[c:3]([C:12](=[O:13])[OH:14])[c:4]([Cl:11])[cH:5][c:6]([C:8](=[O:9])[OH:10])[cH:7]1.[OH:52][n:53]1[c:54]2[c:55]([cH:56][cH:57][cH:58][cH:59]2)[n:60][n:61]1.[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[c:15]1([CH:25]([CH3:26])[NH2:27])[cH:16][cH:17][cH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12.[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[Cl:1][c:2]1[c:3]([C:12](=[O:13])[OH:14])[c:4]([Cl:11])[cH:5][c:6]([C:8](=[O:10])[NH:27][CH:25]([c:15]2[cH:16][cH:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH3:26])[cH:7]1