HRID97597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID10008

Fluorobenzene

C6H5F

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID105144

Palladium(2+)

Pd+2

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430378

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b61f88f59e54421e9cf7a8c252667607
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

[BH:33]([OH:34])[OH:35].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:6][n:7]1.[F:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[K+:62].[K+:63].[O-:64][C:65]([O-:66])=[O:67].[Pd+2:72].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([F:36])[cH:42][cH:41]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:6][n:7]1