HRID89233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID2761177

3,3,3-Trifluoropropane-1-sulfonyl chloride

C3H4ClF3O2S

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CNC(=O)N3c3ccccc3)CC2)c1

HCID67142096

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)CCC(F)(F)F)C(=O)N3c3ccccc3)CC2)c1

HCID25029060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db2b46b6c6ab437bb34aa7a1e955d147
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

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