HRID2142110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：O=C(O)c1ccc(CCCC2SCC(=O)N2CCC2(O)CCCCC2)cc1

HCID175027

4-(3-{3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl}propyl)benzoic acid

C21H29NO4S

HCID12668338

Methanesulfonyl isocyanate

C2H3NO3S

PRODUCTS

生成物

结构：CS(=O)(=O)NC(=O)c1ccc(CCCC2SCC(=O)N2CCC2(O)CCCCC2)cc1

HCID23339579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dca91a7861f4b24904a4e15c9bbc634
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

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