HRID181380

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

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID88870

o-Toluic acid, 6-chloro-

C8H7ClO2

HCID130500

未命名化合物

HCID22382051

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2cccn(C)c2=O)cc1)NC(=O)c1c(C)cccc1Cl

HCID22382016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbcb5e8d52db4d7ab2832c146fa17655
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[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:21])[n:16]([CH3:20])[cH:17][cH:18][cH:19]2)[cH:12][cH:13]1)=[O:22].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[c:29]([CH3:33])[cH:30][cH:31][cH:32]1.[ClH:1].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:2][O:3][C:4]([CH:5]([NH:6][C:26]([c:25]1[c:24]([Cl:23])[cH:32][cH:31][cH:30][c:29]1[CH3:33])=[O:27])[CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](=[O:21])[n:16]([CH3:20])[cH:17][cH:18][cH:19]2)[cH:12][cH:13]1)=[O:22]