HRID665835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

结构：CCS(=O)(=O)c1ccc(NC(=O)OCCc2ccc(B(O)O)cc2C)cc1C#N

HCID57842638

未命名化合物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(N)ccc12

HCID58717298

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1ccc(NC(=O)OCCc2ccc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2C)cc1C#N

HCID57842626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-507e021344724819a03c7923460b7a4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:14][C:15](=[O:16])[O:17][CH2:18][CH2:19][c:20]2[c:21]([CH3:29])[cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]2)[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13].[C:57]([CH:58]=[O:59])(=[O:60])[OH:61].[NH2:30][c:31]1[cH:32][c:33]2[cH:34][cH:35][n:36][c:37]([N:41]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[c:38]2[cH:39][cH:40]1.[OH2:56]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:14][C:15](=[O:16])[O:17][CH2:18][CH2:19][c:20]2[c:21]([CH3:29])[cH:22][c:23]([CH:58]([NH:30][c:31]3[cH:32][c:33]4[cH:34][cH:35][n:36][c:37]([N:41]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[c:38]4[cH:39][cH:40]3)[C:57](=[O:60])[OH:61])[cH:24][cH:25]2)[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]