HRID143495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1810180

1,2,4-Triazole-1-acetic acid

C4H5N3O2

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

HCID178444896

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)CN(NC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)NOCc1ccccc1)C(=O)Cn1cncn1

HCID178444899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-811f54ed5fed4cbeb77fbda8c65015e2
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

[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])[CH2:31][CH3:32])[CH2:33][CH:34]([CH3:35])[CH3:36].[n:37]1([CH2:42][C:43](=[O:44])[OH:45])[n:38][cH:39][n:40][cH:41]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])[CH2:31][CH3:32])[C:43]([CH2:42][n:37]1[n:38][cH:39][n:40][cH:41]1)=[O:44])[CH2:33][CH:34]([CH3:35])[CH3:36]