HRID93114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773526

4-(N-Methylaminocarbonyl)phenylboronic acid

C8H10BNO3

结构：Cc1ncc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1Br

HCID44206104

未命名化合物

结构：Cc1ncc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccccc1

HCID44206323

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cnc2C)cc1

HCID57856169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37b6ed1f565d466a89cb42343ad02290
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[O:14]1[CH2:15][O:16][c:17]2[c:18]1[cH:19][cH:20][c:21]([C:23]1([C:26](=[O:27])[NH:28][c:29]3[cH:30][n:31][c:32]([CH3:36])[c:33]([Br:35])[cH:34]3)[CH2:24][CH2:25]1)[cH:22]2.[O:37]1[c:38]2[cH:39][cH:40][c:41]([C:42]3([C:43]([NH:44][c:45]4[cH:46][n:47][c:48]([CH3:49])[c:50](-[c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[cH:57]4)=[O:58])[CH2:59][CH2:60]3)[cH:61][c:62]2[O:63][CH2:64]1>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:33]2[c:32]([CH3:36])[n:31][cH:30][c:29]([NH:28][C:26]([C:23]3([c:21]4[cH:20][cH:19][c:18]5[c:17]([cH:22]4)[O:16][CH2:15][O:14]5)[CH2:24][CH2:25]3)=[O:27])[cH:34]2)[cH:9][cH:10]1