HRID99589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2777889

2-(Trifluoromethyl)benzenethiol

C7H5F3S

结构：CC(c1ccccc1)N1CCOC(C(OS(C)(=O)=O)c2ccccc2)C1

HCID76835189

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N1CCOC(C(Sc2ccccc2C(F)(F)F)c2ccccc2)C1

HCID178436072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aea50cdf4cbc438593d26cac1640a5fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][S:2]([O:3][CH:6]([CH:7]1[O:8][CH2:9][CH2:10][N:11]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)(=[O:4])=[O:5].[F:33][C:34]([c:35]1[c:36]([SH:41])[cH:37][cH:38][cH:39][cH:40]1)([F:42])[F:43].[K+:31].[K+:32]>>[CH:6]([CH:7]1[O:8][CH2:9][CH2:10][N:11]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[S:41][c:36]1[c:35]([C:34]([F:33])([F:42])[F:43])[cH:40][cH:39][cH:38][cH:37]1