HRID666641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14086

4-(Methylthio)phenol

C7H8OS

结构：CN(C)C(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Oc2ccccc2)cc1

HCID23145616

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Oc2ccc(C(=O)N(C)C)cc2)cc1

HCID23145409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16a7537241584fa49c1a334ec0bfaafe
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

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