HRID314385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID351770

2-Amino-5-methyl-thiazole

C4H6N2S

HCID12002825

3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

C11H10F3N3

HCID14346970

未命名化合物

HCID68852864

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NC(=O)c2ccc(C)c(Nc3nccc(-c4nccs4)n3)c2)s1

HCID16063244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ba30e8f1cea428b99f4d08128386407
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([NH:11][c:12]2[n:13][cH:14][cH:15][c:16](-[c:18]3[s:19][cH:20][cH:21][n:22]3)[n:17]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:52][c:53]1[n:54][cH:55][n:56](-[c:57]2[cH:58][c:59]([NH2:60])[cH:61][c:62]([C:63]([F:64])([F:65])[F:66])[cH:67]2)[cH:68]1.[NH2:23][c:24]1[s:25][c:26]([CH3:29])[cH:27][n:28]1.[n:30]1[cH:31][cH:32][cH:33][c:34](-[c:35]2[cH:36][cH:37][n:38][c:39]([NH:40][c:41]3[cH:42][cH:43][c:44]([C:45]([OH:46])=[O:47])[cH:48][cH:49]3)[n:50]2)[cH:51]1>>[CH3:1][c:2]1[c:3]([NH:11][c:12]2[n:13][cH:14][cH:15][c:16](-[c:18]3[s:19][cH:20][cH:21][n:22]3)[n:17]2)[cH:4][c:5]([C:6](=[O:8])[NH:23][c:24]2[s:25][c:26]([CH3:29])[cH:27][n:28]2)[cH:9][cH:10]1