HRID1131035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：COC(=O)Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

HCID18508368

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNC(=O)Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

HCID9910268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beb71db0a23e475b81dd8734eeda7437
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

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