HRID164429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CCCCC(C)(C)C(=O)NCC(O)C(CC(Cc1ccc2cnn(CCCOC)c2c1)C(C)C)NC(=O)OC(C)(C)C

HCID178443838

未命名化合物

PRODUCTS

生成物

结构：CCCCC(C)(C)C(=O)NCC(O)C(N)CC(Cc1ccc2cnn(CCCOC)c2c1)C(C)C

HCID16755678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26703878be4c4ac7bef141384c7e1075
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

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