HRID670212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

结构：CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OCc2ccccc2)nc1

HCID86626520

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCOc1cnc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1

HCID57556066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c752ad076b284c4da67741bf1247a617
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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