HRID1557330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(NC(=O)c2ccc(OC)cc2)c1

HCID10742629

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID10813267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-539b89e4c45748d5b387ee2211d3b7c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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