HRID191155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2733407

Acetic acid, 2-bromo-2-fluoro-, ethyl ester

C4H6BrFO2

结构：CN(C(=O)OCc1ccccc1)c1cc(CC(NS(=O)(=O)c2ccccc2)C(=O)NCCCCc2ccccc2)ccc1O

HCID69992806

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(F)Oc1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NCCCCc2ccccc2)cc1N(C)C(=O)OCc1ccccc1

HCID178472323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a406e374f6c64afbacea81057c3731ee
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

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