HRID1215033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1cccc(-c2ccc3nc(C(=O)O)cn3c2)n1

HCID44124940

未命名化合物

结构：CCOC(=O)c1cn2cc(-c3csc(NC(=O)OC(C)(C)C)n3)ccc2n1

HCID44136202

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1nc(-c2ccc3nc(C(=O)O)cn3c2)cs1

HCID44124943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d590cd04db2e45c0b9aa959cc09f1322
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

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