HRID163928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734370

3-Methoxyphenylboronic acid

C7H9BO3

结构：COC(=O)Cc1ccc(OC)c(Oc2ccc(Br)cc2CN2C(=O)OC(c3ccccc3)C2C)c1

HCID67105420

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)O)cc1Oc1ccc(Br)cc1CN1C(=O)OC(c2ccccc2)C1C

HCID67105342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71abdb7cb548441fb631e42f73caae3b
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

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