HRID693523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7242

2-Methylaniline

C7H9N

结构：COC(=O)c1ccc(Sc2ccc(OC)cc2)c(Nc2ncnc3nc(C)ccc23)c1

HCID67040351

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Sc2ccc(C(=O)Nc3ccccc3C)cc2Nc2ncnc3nc(C)ccc23)cc1

HCID67040638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b9e59025cb04b9fb577e935ece9a291
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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