HRID1544139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID702

Ethanol

C2H6O

HCID23938

Palladium

结构：CS(=O)(=O)CCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2OCc2ccccc2)nc1

HCID86626874

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)CCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2O)nc1

HCID86626875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c03f738e562c43269fe8c6eb6e0c6849
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

[C:52].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([O:19][CH2:20][CH2:21][S:22](=[O:23])(=[O:24])[CH3:25])[cH:17][n:18]2)[CH2:26][c:27]2[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]2)[cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]1.[CH3:49][CH2:50][OH:51].[Pd:53]>>[OH:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([O:19][CH2:20][CH2:21][S:22](=[O:23])(=[O:24])[CH3:25])[cH:17][n:18]2)[CH2:26][c:27]2[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]2)[cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]1