HRID956840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl Acetate

C4H8O2

HCID86626858

未命名化合物

PRODUCTS

产物

HCID86626860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-30d5dee71b7c4647a2cdf6f37b3a4d96
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][CH2:64][OH:65].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22](-[c:31]3[n:32][c:33]([C:42]([F:43])([F:44])[F:45])[n:34][cH:35][c:36]3[C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]1)([F:53])[F:54].[Na+:56].[OH-:55]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22](-[c:31]3[n:32][c:33]([C:42]([F:43])([F:44])[F:45])[n:34][cH:35][c:36]3[C:37](=[O:38])[OH:39])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]1)([F:53])[F:54]