HRID114768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1048

Pyrazole

C3H4N2

HCID3406

4-Methylpyrazole

C4H6N2

结构：Cc1cnn(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1

HCID86604190

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(-n4cccn4)sc23)cc1

HCID86604191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f7c7d18a38a486f9693fa53209c8f7b
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[cH:3][n:4][n:5](-[c:7]2[cH:8][c:9]3[n:10][cH:11][cH:12][c:13]([O:16][c:17]4[cH:18][cH:19][c:20]([NH:23][C:24](=[S:25])[NH:26][C:27]([CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)=[O:35])[cH:21][cH:22]4)[c:14]3[s:15]2)[cH:6]1.[CH3:36][c:37]1[cH:38][n:39][nH:40][cH:41]1.[nH:42]1[cH:43][cH:44][cH:45][n:46]1>>[cH:2]1[cH:3][n:4][n:5](-[c:7]2[cH:8][c:9]3[n:10][cH:11][cH:12][c:13]([O:16][c:17]4[cH:18][cH:19][c:20]([NH:23][C:24](=[S:25])[NH:26][C:27]([CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)=[O:35])[cH:21][cH:22]4)[c:14]3[s:15]2)[cH:6]1