HRID99005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID142785

4-(Trifluoromethoxy)benzyl bromide

C8H6BrF3O

结构：CCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67201670

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67201038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75b813fffeaf41c8a38b25cb47808bf4
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:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25]([CH2:26][n:27]1[c:28]([CH2:47][CH2:48][CH3:49])[n:29][c:30]2[c:31]1[cH:32][cH:33][c:34]([NH:36][S:37](=[O:38])(=[O:39])[c:40]1[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]1)[cH:35]2)=[O:50].[CH3:51][C:52]#[N:53].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][Br:9])[cH:10][cH:11]1)([F:12])[F:13].[K+:14].[K+:15].[O-:16][C:17]([O-:18])=[O:19].[OH2:60]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][N:36]([c:34]2[cH:33][cH:32][c:31]3[n:27]([CH2:26][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:50])[c:28]([CH2:47][CH2:48][CH3:49])[n:29][c:30]3[cH:35]2)[S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]2)[cH:10][cH:11]1)([F:12])[F:13]