HRID121705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

HCID16782100

3-Amino-4-fluorobenzamide

C7H7FN2O

结构：CCc1cc(B(O)O)ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(CN(C)C(=O)OC(C)(C)C)c1

HCID57842693

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(Nc2cc(C(N)=O)ccc2F)C(=O)O)ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(CN(C)C(=O)OC(C)(C)C)c1

HCID57842725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7e347aae5c84820b7fd9bae93d3bc00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][c:13]([NH:23][C:24](=[O:25])[O:26][CH2:27][CH2:28][c:29]2[c:30]([CH2:38][CH3:39])[cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]2)[cH:14][cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH:20]([CH3:21])[CH3:22].[C:52]([CH:53]=[O:54])(=[O:55])[OH:56].[NH2:40][c:41]1[cH:42][c:43]([C:44](=[O:45])[NH2:46])[cH:47][cH:48][c:49]1[F:50].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][c:13]([NH:23][C:24](=[O:25])[O:26][CH2:27][CH2:28][c:29]2[c:30]([CH2:38][CH3:39])[cH:31][c:32]([CH:53]([NH:40][c:41]3[cH:42][c:43]([C:44](=[O:45])[NH2:46])[cH:47][cH:48][c:49]3[F:50])[C:52](=[O:55])[OH:56])[cH:33][cH:34]2)[cH:14][cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH:20]([CH3:21])[CH3:22]