HRID1207701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(=O)Oc1ccc(C(ON)C(=O)OC(c2ccccc2)c2ccccc2)cc1OC(C)=O

HCID14050775

未命名化合物

HCID20076586

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(C(ON=C(C(=O)O)c2nsc(NC(=O)OC(C)(C)C)n2)C(=O)OC(c2ccccc2)c2ccccc2)cc1OC(C)=O

HCID54108904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af0842626cf44b1c97a4ee237e31ac13
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:19]([CH3:20])(=[O:21])[O:22][c:23]1[cH:24][c:25]([CH:33]([C:34](=[O:35])[O:36][CH:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[O:50][NH2:51])[cH:26][cH:27][c:28]1[O:29][C:30]([CH3:31])=[O:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[n:10][c:11]([C:14]([C:15](=[O:16])[OH:17])=[O:18])[n:12][s:13]1.[CH3:52][OH:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[n:10][c:11]([C:14]([C:15](=[O:16])[OH:17])=[N:51][O:50][CH:33]([c:25]2[cH:24][c:23]([O:22][C:19]([CH3:20])=[O:21])[c:28]([O:29][C:30]([CH3:31])=[O:32])[cH:27][cH:26]2)[C:34](=[O:35])[O:36][CH:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[n:12][s:13]1