HRID689861

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)(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(=O)NCCC(=O)OC)cc1

HCID67485765

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CC=C)(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1

HCID24765340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b293fe422f943b2afd4b300d4d25633
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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