HRID167156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID176526843

未命名化合物

PRODUCTS

生成物

结构：COC1CC2=C(CC1OC)C(=C1SC(NCCCc3ccccc3)=NC1=N)NC2=N

HCID178486511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9549edcf2ad4b509c59578fa5b6c2a4
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

[CH3:1][O:2][CH:3]1[CH2:4][C:5]2=[C:9]([C:8](=[NH:14])[NH:7][C:6]2=[NH:15])[CH2:10][CH:11]1[O:12][CH3:13].[ClH:16].[ClH:44].[NH:33]=[C:34]1[C:35]2=[C:40]([CH2:39][CH2:38][CH2:37][CH2:36]2)[C:41](=[NH:42])[NH:43]1.[NH:45]=[C:46]1[NH:47][C:48](=[NH:49])[CH:50]=[SH:51]1.[c:17]1([CH2:23][CH2:24][CH2:25][NH:26][C:27]2=[N:31][C:30](=[NH:32])[CH2:29][S:28]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][O:2][CH:3]1[CH2:4][C:5]2=[C:9]([C:8](=[NH:14])[NH:7][C:6]2=[C:29]2[S:28][C:27]([NH:26][CH2:25][CH2:24][CH2:23][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)=[N:31][C:30]2=[NH:32])[CH2:10][CH:11]1[O:12][CH3:13]