HRID1219119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19018499

(1H-[1,2,3]Triazol-1-yl)acetic acid

C4H5N3O2

结构：CCC(C)CNNC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)NOCc1ccccc1

HCID178446849

未命名化合物

PRODUCTS

生成物

结构：CCC(C)CN(NC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)NOCc1ccccc1)C(=O)Cn1ccnn1

HCID178446851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-985e761b641e4d55990cbfdc4978aa49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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