HRID186875

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

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

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(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67201023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26023a946235475e8737d60a2870e19a
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:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH2:28][CH2:29][CH3:30])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([NH:17][S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[cH:16]2)=[O:31].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH2:28][CH2:29][CH3:30])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([N:17]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[cH:16]2)=[O:31]