HRID2319713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID7914

Isopropyl ether

C6H14O

结构：CCOC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCC(Cc1ccccc1)C2O

HCID18314712

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCC(Cc1ccccc1)C2O

HCID9802646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85313025195d42759c8755da06b7bd49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6](-[c:15]2[cH:16][cH:17][c:18]3[c:23]([cH:24]2)[O:22][CH2:21][CH:20]([CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH:19]3[OH:32])[cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1)=[O:33].[CH:36]([OH:37])([CH3:38])[CH3:39].[CH:41]([O:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Na+:35].[OH-:34].[OH2:40]>>[O:3]=[C:4]([c:5]1[c:6](-[c:15]2[cH:16][cH:17][c:18]3[c:23]([cH:24]2)[O:22][CH2:21][CH:20]([CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH:19]3[OH:32])[cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1)[OH:33]