HRID122827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID556565

2,2,2-Trifluoroethyl methanesulfonate

C3H5F3O3S

结构：CC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

HCID16727356

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2cnc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC(F)(F)F)CC1

HCID16727145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfd55efbd8644feba5084fcace618690
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

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