HRID86496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7047

Quinoline

C9H7N

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C#Cc4ccc(F)cc4)cn3)c2CC1

HCID66707224

未命名化合物

PRODUCTS

生成物

HCID66706950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bf50454d17d44d2a1d9e66a3186d2a8
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:21][c:22]3[n:23][cH:24][c:25]([C:28]#[C:29][c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH3:47][OH:48].[cH:37]1[cH:38][c:39]2[c:40]([n:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:21][c:22]3[n:23][cH:24][c:25]([CH:28]=[CH:29][c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1