HRID137100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID6605254

4-[[[(2-Methylphenyl)amino]carbonyl]amino]benzeneacetic acid

C16H16N2O3

HCID91152956

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c(C(=O)OC)c1

HCID69333346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b533a07606d34e5b8eecce8989e01ddb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:19])[OH:20])[cH:15][cH:16]2)=[O:21])[cH:4][cH:5][cH:6][cH:7]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[NH:22]1[CH:23]([CH2:27][O:28][c:29]2[c:30]([C:39](=[O:40])[O:41][CH3:42])[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]2)[CH2:24][CH2:25][CH2:26]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH3:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:20])[N:22]3[CH:23]([CH2:27][O:28][c:29]4[c:30]([C:39](=[O:40])[O:41][CH3:42])[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]4)[CH2:24][CH2:25][CH2:26]3)[cH:15][cH:16]2)=[O:21])[cH:4][cH:5][cH:6][cH:7]1