HRID1140090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

结构：CC(C)(C)OC(=O)NCC(=O)Oc1cc(Cl)c(Cl)cc1Cl

HCID12799284

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccccc1

HCID3244524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddaec913662b429ebc2e46232f5fc15f
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

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH2:22])=[O:23].[CH3:24][N:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[Cl:31][c:32]1[cH:33][c:34]([Cl:35])[c:36]([Cl:37])[cH:38][c:39]1[O:40][C:41]([CH2:42][NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH:22][C:41](=[O:40])[CH2:42][NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:23]