HRID1559178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

HCID9895868

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

HCID44390369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9a3887d69b64fc5950985ba69bf071b
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

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