HRID690188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

HCID57353085

5-tert-Butyl 1-ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate

C15H24N4O4

PRODUCTS

生成物

结构：CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

HCID11859042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eceb5a3ebdfc41c6b8d125a7595d1c82
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

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