HRID1570101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734390

3,4,5-Trimethoxyphenylboronic acid

C9H13BO5

结构：CC(C)(C)OC(=O)N1CCC2c3cc(Br)cc4c3N(CCO4)C2CC1

HCID22735371

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cc3c4c(c2)C2CCN(C(=O)OC(C)(C)C)CCC2N4CCO3)cc(OC)c1OC

HCID22735406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a16879bb39c4a48b9f456a8a87269ad
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

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