HRID1225093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID79341

Piperidin-4-ol

C5H11NO

结构：COC(=O)c1c(Cl)nc(SC)nc1NCc1ccc(OC)c(Cl)c1

HCID17848354

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(SC)nc1N1CCC(O)CC1

HCID17848321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7af62c0ce4b44ab7a8ec92af304cddf8
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

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