HRID86326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID13624

2-Aminobenzimidazole

C7H7N3

结构：CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID312833

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(NC(=S)Nc2nc3ccccc3[nH]2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4997788fe6c54c83b840068e57c08adf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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