HRID1209844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2773537

{4-[(Methanesulfonyl)amino]phenyl}boronic acid

C7H10BNO4S

结构：CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(Br)c(F)c1

HCID57489052

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)c(F)c1

HCID57489054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb9c447b4201410a8aa88d798ca5b052
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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