HRID1220749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID23938

Palladium

结构：CCOC(=O)C(=NOCCN=[N+]=[N-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54357777

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=NOCCN)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID178472874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52e5d827e8b74aebb1aa02646de888da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:41].[CH3:39][OH:40].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][O:6][N:7]=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[c:14]1[n:15][c:16]([NH:19][C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[s:17][cH:18]1.[Pd:42]>>[NH2:1][CH2:4][CH2:5][O:6][N:7]=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[c:14]1[n:15][c:16]([NH:19][C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[s:17][cH:18]1