HRID1130655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

结构：COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)ccnc2cc1OCc1ccccc1

HCID22667053

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)ccnc2cc1O

HCID135674212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-924bbe0d0aa144ffbe51dd9a707e0a0a
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:54].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:39][CH3:40])[cH:11][c:12]2[c:13]([O:19][c:20]3[cH:21][c:22]([Cl:38])[c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]4[c:31]([F:37])[cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[H:41][H:42].[Pd:55]>>[OH:8][c:9]1[c:10]([O:39][CH3:40])[cH:11][c:12]2[c:13]([O:19][c:20]3[cH:21][c:22]([Cl:38])[c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]4[c:31]([F:37])[cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1