HRID671906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID4574913

未命名化合物

HCID11096368

Propanedioic acid, methylene-, bis(1,1-dimethylethyl) ester

C12H20O4

结构：CCOC(=O)c1cn(NC)c2c(F)c(F)c(F)cc2c1=O

HCID11098599

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(N(C)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2c(F)c(F)c(F)cc2c1=O

HCID10392180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a47fb4cf8fc4d6988440211ae16758e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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