HRID702652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)Cl)cc1

HCID59205984

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1

HCID67120685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41c3a6f8c3104ee6bf2dc2a9b1006b70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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