HRID2143821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID56953627

未命名化合物

结构：CCc1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1

HCID66877385

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(-c2ccccc2)n1

HCID44243223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09563aff3e944cdd8c26f217601cce37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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