HRID691953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCCN2CCC(C)C)c1

HCID57666084

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN1CCCCC1c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(CC(C)C)C(=O)O)c1

HCID25268704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa26dfb0da29427aa70e888c74f87fd9
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

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