HRID2126808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)Nc1cc(CN2CCC(CNC(=O)CNC(=O)c3cc(F)c(F)cc3NC(=O)OC(C)(C)C)CC2)ccc1O

HCID18426193

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(CN2CCC(CNC(=O)CNC(=O)c3cc(F)c(F)cc3N)CC2)ccc1O

HCID18426187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb4ad49d04314fc5bf924a9a1a980d67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:8]([CH3:9])(=[O:10])[NH:11][c:12]1[cH:13][c:14]([CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([CH2:22][NH:23][C:24]([CH2:25][NH:26][C:27]([c:28]3[c:29]([NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[cH:30][c:31]([F:35])[c:32]([F:34])[cH:33]3)=[O:44])=[O:45])[CH2:20][CH2:21]2)[cH:46][cH:47][c:48]1[OH:49].[CH3:50][OH:51].[ClH:7].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1>>[C:8]([CH3:9])(=[O:10])[NH:11][c:12]1[cH:13][c:14]([CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([CH2:22][NH:23][C:24]([CH2:25][NH:26][C:27]([c:28]3[c:29]([NH2:36])[cH:30][c:31]([F:35])[c:32]([F:34])[cH:33]3)=[O:44])=[O:45])[CH2:20][CH2:21]2)[cH:46][cH:47][c:48]1[OH:49]