HRID1202124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6645

Methyl toluene-4-sulfonate

C8H10O3S

HCID21937369

未命名化合物

结构：CN1C(=S)N(Cc2ccccc2)C(=O)C1=C1Sc2ccccc2N1C

HCID72639886

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(C(C)=O)cc1N=C1N(C)C(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

HCID67369608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-270b77c50bc1486e8447c7c5011f6c0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[S:25])[N:10]([CH3:24])[C:11](=[C:14]2[S:15][c:16]3[c:17]([cH:20][cH:21][cH:22][cH:23]3)[N:18]2[CH3:19])[C:12]1=[O:13].[NH2:38][c:39]1[cH:40][c:41]([C:48]([CH3:49])=[O:50])[cH:42][cH:43][c:44]1[NH:45][CH2:46][CH3:47].[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([O:32][CH3:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[N:38][c:39]2[cH:40][c:41]([C:48]([CH3:49])=[O:50])[cH:42][cH:43][c:44]2[NH:45][CH2:46][CH3:47])[N:10]([CH3:24])[C:11](=[C:14]2[S:15][c:16]3[c:17]([cH:20][cH:21][cH:22][cH:23]3)[N:18]2[CH3:19])[C:12]1=[O:13]