HRID2132425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)c1c(C=C2CC2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

HCID22676741

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1c(C=C2CC2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

HCID10133792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e46171d759274a4c938f31d1871cad96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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