HRID1545301

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(O)CC(NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

HCID18444388

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O)OCc1ccccc1

HCID18444387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48ea2bcb43834753a40ac517343b0a11
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

[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][C:18](=[O:19])[NH:20][CH:21]([CH2:22][C:23](=[O:24])[OH:25])[C:26](=[O:27])[NH:28][c:29]1[c:30]([F:47])[cH:31][cH:32][c:33]([CH2:35][c:36]2[n:37][nH:38][c:39](=[O:46])[c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]23)[cH:34]1.[CH3:49][C:50]([N:51]([CH3:52])[CH3:53])=[O:54].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[OH2:48]>>[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][C:18](=[O:19])[NH:20][CH:21]1[CH2:22][C:23](=[O:25])[N:28]([c:29]2[c:30]([F:47])[cH:31][cH:32][c:33]([CH2:35][c:36]3[n:37][nH:38][c:39](=[O:46])[c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]34)[cH:34]2)[C:26]1=[O:27]