HRID1117310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2734321

[1-(tert-Butoxycarbonyl)-1H-pyrrol-2-yl]boronic acid

C9H14BNO4

结构：COC(=O)C(Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)c1c(Cl)cc(Br)cc1Cl

HCID178499783

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)c1c(Cl)cc(-c2cccn2C(=O)OC(C)(C)C)cc1Cl

HCID178499784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcbead0757e546e28733a35c9372168b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[n:42]1[c:43]([B:47]([OH:48])[OH:49])[cH:44][cH:45][cH:46]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:15])[cH:9][c:10]([Br:14])[cH:11][c:12]1[Cl:13])=[O:16])[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25]([O:32][CH3:33])[cH:26][cH:27][cH:28][c:29]2[O:30][CH3:31])[cH:22][cH:23]1)=[O:34]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:15])[cH:9][c:10](-[c:43]2[n:42]([C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])[cH:46][cH:45][cH:44]2)[cH:11][c:12]1[Cl:13])=[O:16])[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25]([O:32][CH3:33])[cH:26][cH:27][cH:28][c:29]2[O:30][CH3:31])[cH:22][cH:23]1)=[O:34]