HRID209615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2773996

3-Furanboronic acid pinacol ester

C10H15BO3

结构：COc1ccc(N2CC(C)N(C(=O)OC(C)(C)C)C(C)C2)nc1NS(=O)(=O)c1ccc(Br)cc1Cl

HCID178491955

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CC(C)N(C(=O)OC(C)(C)C)C(C)C2)nc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1Cl

HCID178491958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-719be5641ed04e5ba4b58be05628b448
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([Cl:35])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:33][CH3:34])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:32])[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH:22]([CH3:24])[CH2:23]3)[n:17]2)[cH:6][cH:7]1.[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[OH2:56].[o:36]1[cH:37][c:38]([B:41]2[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]2)[cH:39][cH:40]1>>[c:2]1(-[c:38]2[cH:37][o:36][cH:40][cH:39]2)[cH:3][c:4]([Cl:35])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:33][CH3:34])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:32])[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH:22]([CH3:24])[CH2:23]3)[n:17]2)[cH:6][cH:7]1