HRID170287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID16039067

未命名化合物

HCID57731552

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(NCc4ccncc4)c(C(=O)N(C)C)c3)cc12

HCID57731580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41218fda9aae4e4da78ef22040ee28ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:22][O:23][c:24]1[c:25](-[c:30]2[cH:31][n:32]([S:48](=[O:49])(=[O:50])[c:51]3[cH:52][cH:53][c:54]([CH3:57])[cH:55][cH:56]3)[c:33]3[n:34][cH:35][c:36]([B:39]4[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]4)[cH:37][c:38]23)[cH:26][cH:27][cH:28][cH:29]1.[CH3:67][C:68]#[N:69].[Cl:58][CH2:59][Cl:60].[F:1][c:2]1[c:3]([NH:14][CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH3:9])[cH:10][c:11]([I:13])[cH:12]1.[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66]>>[F:1][c:2]1[c:3]([NH:14][CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[c:4]([C:5](=[O:6])[N:7]([CH3:8])[CH3:9])[cH:10][c:11](-[c:36]2[cH:35][n:34][c:33]3[n:32]([S:48](=[O:49])(=[O:50])[c:51]4[cH:52][cH:53][c:54]([CH3:57])[cH:55][cH:56]4)[cH:31][c:30](-[c:25]4[c:24]([O:23][CH3:22])[cH:29][cH:28][cH:27][cH:26]4)[c:38]3[cH:37]2)[cH:12]1