HRID173955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(CC(OC(C)C)C(=O)[O-])cc1CNC(=O)OC(C)(C)C

HCID22493954

未命名化合物

HCID22494192

未命名化合物

PRODUCTS

生成物

结构：CCCOc1cc(C(F)(F)F)ccc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC

HCID22494042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1828feaca2cc49148b5036b710c3db11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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