HRID1562076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2782743

1,2-Difluoro-4-(methylsulfonyl)benzene

C7H6F2O2S

结构：CCc1cnc(N2CCC(Oc3cc[nH]c(=O)c3)CC2)nc1

HCID67367294

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4F)c(=O)c3)CC2)nc1

HCID57468453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e3d300bffa849ce9591461a95232d22
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

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