HRID96671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C(=O)NC(c1ccc(OCc2ccccc2)cc1)C1CCCN1C(=O)OC(C)(C)C)c1ccccc1

HCID77292343

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)NC(c1ccc(O)cc1)C1CCCN1C(=O)OC(C)(C)C)c1ccccc1

HCID77292191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b088d8fc5d4e4f1795e5a2183a92d140
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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