HRID1202445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

结构：Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)cc1C

HCID16038471

未命名化合物

HCID17604973

[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine

C10H11N3O2

PRODUCTS

生成物

结构：COc1ccc(-c2nc(CNC(=O)c3ccc4n3Cc3ccccc3N(C(=O)c3ccc(-c5ccccc5C)c(C)c3)C4)no2)cc1

HCID11999851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb7de9356fcd4cbcba475a9ae5ec8443
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

[CH3:37][S:38]([CH3:39])=[O:40].[CH3:41][O:42][c:43]1[cH:44][cH:45][c:46](-[c:49]2[n:50][c:51]([CH2:54][NH2:55])[n:52][o:53]2)[cH:47][cH:48]1.[CH3:56][C:57]#[N:58].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:34])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)([Cl:35])[Cl:36]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:34])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)[NH:55][CH2:54][c:51]1[n:50][c:49](-[c:46]2[cH:45][cH:44][c:43]([O:42][CH3:41])[cH:48][cH:47]2)[o:53][n:52]1