HRID321443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8501

4-Chlorobenzoyl chloride

C7H4Cl2O

结构：Cc1c(C)c2c(c(C)c1N)C(c1ccc(C(C)C)cc1)C1(CCN(C)CC1)O2

HCID21961302

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1NC(=O)c1ccc(Cl)cc1)C(c1ccc(C(C)C)cc1)C1(CCN(C)CC1)O2

HCID10208033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d316602b2d34042bd2c5dc13504c7b1
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

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