HRID293453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6334

Propane

C3H8

HCID8471

Triethylamine

C6H15N

HCID5316944

1,3-dithiole

C3H4S2

结构：COC(=O)C(CCSC)NC(=O)c1ccc(CN=[N+]=[N-])cc1-c1ccccc1

HCID23435999

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(CN)cc1-c1ccccc1

HCID23436103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50ceeb53e3984130a406ea8a3112df4a
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

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:9][c:10]([CH2:13][N:14]=[N+:15]=[N-:16])[cH:11][cH:12]1)=[O:23])[CH2:24][CH2:25][S:26][CH3:27])=[O:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:41][CH2:42][CH3:43].[CH3:44][OH:45].[S:36]1[CH:37]=[CH:38][S:39][CH2:40]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:9][c:10]([CH2:13][NH2:14])[cH:11][cH:12]1)=[O:23])[CH2:24][CH2:25][S:26][CH3:27])=[O:28]