HRID207489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID123064

3-Fluorophenyl isocyanate

C7H4FNO

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)Nc2cccc(F)c2)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

HCID68654593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f1afe9115814972b2e69872e2567ed2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[F:24][c:25]1[cH:26][c:27]([N:31]=[C:32]=[O:33])[cH:28][cH:29][cH:30]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:32]([NH:31][c:27]1[cH:26][c:25]([F:24])[cH:30][cH:29][cH:28]1)=[O:33]