HRID1149361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6558

Isobutylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID21904951

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(OCC)c1c(F)cc(C(=O)NCC(C)C)cc1F

HCID69291808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfaee06fd3e84ee9ba4b609e2aba583c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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