HRID135934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCN(Cc1cc(C(=O)O)ccc1Br)C(=O)OCc1ccccc1

HCID57419864

未命名化合物

结构：CCOC(=O)Cc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1

HCID58120060

[4-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester

C17H25BO5

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(=O)O)cc2CN(CC)C(=O)OCc2ccccc2)c1

HCID54674329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8756918a8a804d7c879fb8e786241a0e
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]1[Br:24].[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][c:30]1[cH:31][c:32]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[c:33]([O:36][CH3:37])[cH:34][cH:35]1)=[O:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([CH2:12][CH3:13])[CH2:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]1-[c:32]1[cH:31][c:30]([CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:47])[cH:35][cH:34][c:33]1[O:36][CH3:37]