HRID1562380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID90027

2,2,2-Trifluoroethyl trichloromethanesulphonate

C3H2Cl3F3O3S

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CCCC2(C1)C(=O)NCC2c1ccccc1

HCID71060285

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC2(C1)C(=O)N(CC(F)(F)F)CC2c1ccccc1

HCID71060151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99c0915bcc6546f69daf32f980385c68
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

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