HRID1567854

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

HCID6362

2-Iodopropane

C3H7I

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)S(=O)NC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(O)c(F)c1

HCID72290816

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(C(Cc2ccccc2)(NS(=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1F

HCID72290810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcf20168a1f640bcbcda91fd49f53578
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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