HRID1565274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1ccc(C=CC(CCC(F)(F)F)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

HCID91514882

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(C=CC(CCC(F)(F)F)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

HCID91063787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7e7f81e8d3d42cd83237857ffd0e2e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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