HRID147340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID23938

Palladium

结构：CCCc1ccc(CNC(=O)C2CN(c3nc(C)c(C(=O)OC(C)(C)C)s3)CCN2C(=O)OCc2ccccc2)cc1

HCID67411554

未命名化合物

PRODUCTS

生成物

结构：CCCc1ccc(CNC(=O)C2CN(c3nc(C)c(C(=O)OC(C)(C)C)s3)CCN2)cc1

HCID67410575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b92870ea91cd4b92a21821b63fc30b2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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