HRID1143524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID818538

未命名化合物

HCID14256804

未命名化合物

PRODUCTS

产物

HCID3086530

Sitalidone

C23H29ClN2O5S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-323748d99ac8442daf12e06e3e4fcdff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:15][c:16]1[c:17]([S:30](=[O:31])(=[O:32])[Cl:33])[cH:18][c:19]([C:22]2([OH:29])[CH2:23][CH2:24][C:25](=[O:28])[N:26]2[CH3:27])[cH:20][cH:21]1.[NH2:1][c:2]1[cH:3][c:4]([CH:12]([CH3:13])[CH3:14])[c:5]([OH:11])[c:6]([CH:8]([CH3:9])[CH3:10])[cH:7]1.[OH2:41]>>[NH:1]([c:2]1[cH:3][c:4]([CH:12]([CH3:13])[CH3:14])[c:5]([OH:11])[c:6]([CH:8]([CH3:9])[CH3:10])[cH:7]1)[S:30]([c:17]1[c:16]([Cl:15])[cH:21][cH:20][c:19]([C:22]2([OH:29])[CH2:23][CH2:24][C:25](=[O:28])[N:26]2[CH3:27])[cH:18]1)(=[O:31])=[O:32]