HRID2129143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8063

Pentanal

C5H10O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

结构：COCOc1cc(C(F)(F)F)ccc1N(C(C)C)S(C)(=O)=O

HCID23378642

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCCC(O)CS(=O)(=O)N(c1ccc(C(F)(F)F)cc1OCOC)C(C)C

HCID22671994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a1337c65fa4622aa42d8aed5320f19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:23]([Li:24])[CH2:25][CH2:26][CH3:27].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:1][O:2][CH2:3][O:4][c:5]1[c:6]([N:15]([CH:16]([CH3:17])[CH3:18])[S:19](=[O:20])(=[O:21])[CH3:22])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[CH3:40][N:41]([P:42]([N:43]([CH3:44])[CH3:45])([N:46]([CH3:47])[CH3:48])=[O:49])[CH3:50].[CH:28]([CH2:29][CH2:30][CH2:31][CH3:32])=[O:33].[OH2:34]>>[CH3:1][O:2][CH2:3][O:4][c:5]1[c:6]([N:15]([CH:16]([CH3:17])[CH3:18])[S:19](=[O:20])(=[O:21])[CH2:22][CH:28]([CH2:29][CH2:30][CH2:31][CH3:32])[OH:33])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1