HRID1145806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID2735329

1,2,4-Dithiazolidine-3-thione, 5-imino-

C2H2N2S3

HCID54531844

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CCCC(C)=CCOc1ccc(CC(=O)Nc2nc(=S)ss2)cc1

HCID72356439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2adc352b83b477a8ae0c0907545ae29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:22]([n:23]1[cH:24][cH:25][n:26][cH:27]1)([n:28]1[cH:29][cH:30][n:31][cH:32]1)=[O:33].[CH3:1][C:2](=[CH:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[OH:15])[cH:10][cH:11]1)[CH2:16][CH2:17][CH:18]=[C:19]([CH3:20])[CH3:21].[NH2:34][c:35]1[s:36][s:37][c:38](=[S:40])[n:39]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:41]>>[CH3:1][C:2](=[CH:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[NH:34][c:35]2[s:36][s:37][c:38](=[S:40])[n:39]2)[cH:10][cH:11]1)[CH2:16][CH2:17][CH:18]=[C:19]([CH3:20])[CH3:21]