HRID1570074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)S(=O)(=O)c1ccc(OCC(=O)OCC)c(C)c1

HCID58622863

未命名化合物

PRODUCTS

生成物

结构：CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)S(=O)(=O)c1ccc(OCC(=O)O)c(C)c1

HCID18448307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44f57a6c082649dbbe56aaf0e7d65db3
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

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