HRID297897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(CC(C(=O)O)c1ccccc1)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

HCID18444383

未命名化合物

PRODUCTS

生成物

结构：O=C1CC(c2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

HCID11560961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bd4398735b84f8da894c1d6cd1f4bb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:44][C:45]([N:46]([CH3:47])[CH3:48])=[O:49].[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]([CH2:31][CH:32]([C:33](=[O:34])[OH:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O: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:42])[CH2:31][CH:32]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[C:33]2=[O:35])[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