HRID181069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID54682930

2H-1-Benzopyran-2-one, 4-hydroxy-

C9H6O3

结构：CC(OC(=O)c1ccc(C=O)cc1)C(F)(F)C(F)(F)F

HCID58930722

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1)C(F)(F)C(F)(F)F

HCID58760993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da24ab4f44a0497db0369d3b775ff17b
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

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