HRID681142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44118763

[4-(Methylsulfamoyl)phenyl]boronic acid

C7H10BNO4S

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

HCID44206326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-879c733e871a47f1a6674ad0c284fa01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][NH:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([B:12]([OH:13])[OH:14])[cH:10][cH:11]1.[O:15]1[CH2:16][O:17][c:18]2[c:19]1[cH:20][cH:21][c:22]([C:24]1([C:27](=[O:28])[NH:29][c:30]3[cH:31][n:32][c:33]([CH3:37])[c:34]([Br:36])[cH:35]3)[CH2:25][CH2:26]1)[cH:23]2.[O:38]1[c:39]2[cH:40][cH:41][c:42]([C:43]3([C:44]([NH:45][c:46]4[cH:47][n:48][c:49]([CH3:50])[c:51](-[c:52]5[cH:53][cH:54][cH:55][cH:56][cH:57]5)[cH:58]4)=[O:59])[CH2:60][CH2:61]3)[cH:62][c:63]2[O:64][CH2:65]1>>[CH3:1][NH:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:34]2[c:33]([CH3:37])[n:32][cH:31][c:30]([NH:29][C:27]([C:24]3([c:22]4[cH:21][cH:20][c:19]5[c:18]([cH:23]4)[O:17][CH2:16][O:15]5)[CH2:25][CH2:26]3)=[O:28])[cH:35]2)[cH:10][cH:11]1