HRID152382

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

HCID22494340

2-Chloro-4-cyclopentyloxybenzoic acid

C12H13ClO3

PRODUCTS

生成物

结构：COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(OC2CCCC2)cc1Cl

HCID22493944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd93ed4071a74ca1b180e4bfb1dfba7d
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:17]([O:18][C:19](=[O:20])[NH:24][CH2:25][c:26]1[cH:27][c:28]([CH2:34][CH:35]([C:36](=[O:37])[O-:38])[O:39][CH:40]([CH3:41])[CH3:42])[cH:29][cH:30][c:31]1[O:32][CH3:33])([CH3:21])([CH3:22])[CH3:23].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:10]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:24][CH2:25][c:26]2[cH:27][c:28]([CH2:34][CH:35]([C:36](=[O:37])[OH:38])[O:39][CH:40]([CH3:41])[CH3:42])[cH:29][cH:30][c:31]2[O:32][CH3:33])[cH:7][cH:8][c:9]([O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:10]1