HRID691927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID123458

1-Methoxy-2-propylamine

C4H11NO

结构：Cc1ccc(-c2cc(C(=O)O)cc(-n3nnnc3C)c2)cc1

HCID57850935

未命名化合物

PRODUCTS

生成物

结构：COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2nnnc2C)c1

HCID57851255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-002a9f32f27f4f3eb46d2eff8ecb6c4c
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

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