HRID2123436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

反应SMILES：CC(C)(C)OC(=O)NC(=N)c1ccc(C(=O)Nc2cc(C(=O)NCCC(=O)O)ccc2OCc2ccccc2)cc1

HCID139627354

未命名化合物

PRODUCTS

产物

反应SMILES：N=C(N)c1ccc(C(=O)Nc2cc(C(=O)NCCC(=O)O)ccc2OCc2ccccc2)cc1

HCID19996358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4feaa3aededf43f4b88f9b3027878925
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([NH:23][C:24]([c:25]2[cH:26][cH:27][c:28]([C:31]([NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])=[NH:40])[cH:29][cH:30]2)=[O:41])[cH:11][c:12]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:21][cH:22]1.[CH:42]([OH:43])=[O:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([NH:23][C:24]([c:25]2[cH:26][cH:27][c:28]([C:31](=[NH:32])[NH2:40])[cH:29][cH:30]2)=[O:41])[cH:11][c:12]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:21][cH:22]1