HRID1219918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

反应SMILES：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(B(O)O)cc2)cc1CN(C)C(=O)OC(C)(C)C

HCID57842904

未命名化合物

反应SMILES：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(N)ccc12

HCID58717298

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2)cc1CN(C)C(=O)OC(C)(C)C

HCID57842708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a8f2289853a04ef28da4e92c52e3993c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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:22][C:23]([CH2:24][CH2:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]2)=[O:36])[cH:14][cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH2:20][CH3:21].[C:64]([CH:65]=[O:66])(=[O:67])[OH:68].[NH2:37][c:38]1[cH:39][c:40]2[cH:41][cH:42][n:43][c:44]([N:48]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[c:45]2[cH:46][cH:47]1.[OH2:63]>>[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:22][C:23]([CH2:24][CH2:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([CH:65]([NH:37][c:38]3[cH:39][c:40]4[cH:41][cH:42][n:43][c:44]([N:48]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[c:45]4[cH:46][cH:47]3)[C:64](=[O:67])[OH:68])[cH:31][cH:32]2)=[O:36])[cH:14][cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH2:20][CH3:21]