HRID2311152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CC(C)(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68295468

未命名化合物

PRODUCTS

生成物

HCID68295757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-751a8f9a37784e16a849ea4e51fe4f80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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