HRID124383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID2094170

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc2c(c1C)C(=C1SC(Nc3ccccc3)=NC1=N)NC2=N

HCID178422517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3951bd7ff6fa46f3b47932f8e116eda2
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

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