HRID1149897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID23938

Palladium

反应SMILES：CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ncc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)CC1

HCID86647200

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)CC1

HCID59563929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3f44acb9628e4996a5ec4e6d91c34a8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[c:18]1[cH:19][c:20]([CH2:50][CH2:51][CH3:52])[c:21]([N:24]2[CH2:25][CH2:26][N:27]([C:30]([CH2:31][N:32]3[C:33](=[O:48])[NH:34][C:35]([CH3:38])([c:39]4[cH:40][cH:41][c:42]5[c:43]([cH:47]4)[CH2:44][CH2:45][O:46]5)[C:36]3=[O:37])=[O:49])[CH2:28][CH2:29]2)[cH:22][n:23]1.[CH3:53][OH:54].[Pd:56]>>[OH:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[c:18]1[cH:19][c:20]([CH2:50][CH2:51][CH3:52])[c:21]([N:24]2[CH2:25][CH2:26][N:27]([C:30]([CH2:31][N:32]3[C:33](=[O:48])[NH:34][C:35]([CH3:38])([c:39]4[cH:40][cH:41][c:42]5[c:43]([cH:47]4)[CH2:44][CH2:45][O:46]5)[C:36]3=[O:37])=[O:49])[CH2:28][CH2:29]2)[cH:22][n:23]1