HRID304122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7914

Isopropyl ether

C6H14O

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

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(F)cc1)C(c1ccc(C(C)C)cc1)C1(CCN(C)CC1)O2

HCID10185404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-082e57ada7194f7f8ab3c28d3d123b7b
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

[CH3:46][OH:47].[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.[CH:39]([O:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[F:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O: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:34]([c:33]2[cH:32][cH:31][c:30]([F:29])[cH:38][cH:37]2)=[O:35])[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