HRID2347679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8880

N-(2-Hydroxyethyl)acetamide

C4H9NO2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(Cc1ccc(OCc2cc(Cl)cc3c2OC(C)(C)C3)c(C(F)(F)F)c1)C(=O)O

HCID46836212

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCOC(=O)C(C)Cc1ccc(OCc2cc(Cl)cc3c2OC(C)(C)C3)c(C(F)(F)F)c1

HCID46836613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-345cb7efb59b4a6eb78cbc1511099691
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

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