HRID315836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID178418361

未命名化合物

结构：CC(C)CCN1CCN(C(=O)OC(C)(C)C)C(C(O)C(Cc2ccccc2)N=C(c2ccccc2)c2ccccc2)C1

HCID178446117

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN1CCN(C(=O)OC(C)(C)C)C(C(O)C(N)Cc2ccccc2)C1

HCID69017521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d70329bada67432093f30c3e6f3ed509
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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