HRID694488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID18646006

未命名化合物

结构：COc1cc(CC(=O)N2CCCC2CO)ccc1NC(=O)Nc1ccccc1C

HCID69333531

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(=O)N2CCCC2CNC2CCC(C(=O)OCc3ccccc3)CC2)ccc1NC(=O)Nc1ccccc1C

HCID23512046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce73aa0ec361493a84f6fe0391cfd4b6
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

[C:67]([OH:68])(=[O:69])[CH3:70].[CH3:11][O:12][c:13]1[cH:14][c:15]([CH2:30][C:31](=[O:32])[N:33]2[CH:34]([CH2:38][OH:39])[CH2:35][CH2:36][CH2:37]2)[cH:16][cH:17][c:18]1[NH:19][C:20](=[O:21])[NH:22][c:23]1[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:64][CH2:65][Cl:66].[NH2:47][CH:48]1[CH2:49][CH2:50][CH:51]([C:54](=[O:55])[O:56][CH2:57][c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[CH2:52][CH2:53]1.[OH2:71]>>[CH3:11][O:12][c:13]1[cH:14][c:15]([CH2:30][C:31](=[O:32])[N:33]2[CH:34]([CH2:38][NH:47][CH:48]3[CH2:49][CH2:50][CH:51]([C:54](=[O:55])[O:56][CH2:57][c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[CH2:52][CH2:53]3)[CH2:35][CH2:36][CH2:37]2)[cH:16][cH:17][c:18]1[NH:19][C:20](=[O:21])[NH:22][c:23]1[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]1