HRID698063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44119328

[4-(Dimethylsulfamoyl)phenyl]boronic acid

C8H12BNO4S

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：Cc1ncc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1

HCID44189707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39b0c6cd10d243a88dc1e1a77610dcc9
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][N: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)[CH3:15].[O:16]1[CH2:17][O:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([C:25]1([C:28](=[O:29])[NH:30][c:31]3[cH:32][n:33][c:34]([CH3:38])[c:35]([Br:37])[cH:36]3)[CH2:26][CH2:27]1)[cH:24]2.[O:39]1[c:40]2[cH:41][cH:42][c:43]([C:44]3([C:45]([NH:46][c:47]4[cH:48][n:49][c:50]([CH3:51])[c:52](-[c:53]5[cH:54][cH:55][cH:56][cH:57][cH:58]5)[cH:59]4)=[O:60])[CH2:61][CH2:62]3)[cH:63][c:64]2[O:65][CH2:66]1>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:35]2[c:34]([CH3:38])[n:33][cH:32][c:31]([NH:30][C:28]([C:25]3([c:23]4[cH:22][cH:21][c:20]5[c:19]([cH:24]4)[O:18][CH2:17][O:16]5)[CH2:26][CH2:27]3)=[O:29])[cH:36]2)[cH:10][cH:11]1)[CH3:15]