HRID837084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：CCCCCCC(Nc1ccc(C(=O)OC)cc1)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1

HCID66777036

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCCCC(Nc1ccc(C(=O)O)cc1)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1

HCID66778045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-158df9c8d48047afa5f08ebff93399ed
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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