HRID318601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：C=CCC(CC=C)(COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)OC)cc1

HCID67485717

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CC=C)(COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)O)cc1

HCID68489436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9cc4a3cf33243d888c1930f499b90ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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