HRID2327738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6115

Aniline

C6H7N

结构：COc1ccc(N2C(=O)N(c3cccc(C#N)c3)c3nc(Cl)ncc3C2C)c(F)c1

HCID10047943

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2C(=O)N(c3cccc(C#N)c3)c3nc(Nc4ccccc4)ncc3C2C)c(F)c1

HCID10254568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-894944217dc64687826fbd67145dd405
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

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