HRID2123509

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

HCID3135649

5-Bromo-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

C7H4BrNO3S

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID59206473

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1-c1ccc2c(c1)C(=O)NS2(=O)=O

HCID25152662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da1142698186493baf13744efb6cfba2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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