HRID295413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

结构：CN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3cc(-c4ccccc4)ccc3C(=O)OC(C)(C)C)c2)CC1

HCID66990034

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(O)c(C(=O)Nc3cc(-c4ccccc4)ccc3C(=O)OC(C)(C)C)c2)CC1

HCID58508960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d563a85a8f24f20b23173247eb25e9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:56].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][c:14]2[c:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:26]2)[cH:33][c:34]([N:37]2[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]2)[cH:35][cH:36]1.[CH3:48][OH:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:44]([Cl:45])([Cl:46])[Cl:47].[Pd:57]>>[OH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][c:14]2[c:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:26]2)[cH:33][c:34]([N:37]2[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]2)[cH:35][cH:36]1