HRID1541619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCC=CCC(CC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)O

HCID68623893

未命名化合物

PRODUCTS

生成物

结构：CCCC=CCC1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O

HCID68624361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23720b1e92cb4e73aaa7b14a443b4097
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[F:10][c:11]1[c:12]([NH:29][C:30](=[O:31])[CH2:32][CH:33]([C:34](=[O:35])[OH:36])[CH2:37][CH:38]=[CH:39][CH2:40][CH2:41][CH3:42])[cH:13][c:14]([CH2:17][c:18]2[n:19][nH:20][c:21](=[O:28])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]23)[cH:15][cH:16]1.[OH2:43]>>[F:10][c:11]1[c:12]([N:29]2[C:30](=[O:31])[CH2:32][CH:33]([CH2:37][CH:38]=[CH:39][CH2:40][CH2:41][CH3:42])[C:34]2=[O:36])[cH:13][c:14]([CH2:17][c:18]2[n:19][nH:20][c:21](=[O:28])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]23)[cH:15][cH:16]1