HRID176780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID1099

Sulfite

O3S-2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CC(C)CC(C(=O)N1C(=O)OCC1Cc1ccccc1)c1cc(OCc2ccc(F)cc2C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1

HCID76587801

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)O)c1cc(OCc2ccc(F)cc2C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1

HCID57667311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-072d0cf1c84e4cc7a1a9970cbf334b24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH:2]1[CH2:3][O:4][C:5](=[O:6])[N:7]1[C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[c:20]1[cH:21][c:22](-[c:39]2[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]2)[cH:23][c:24]([O:26][CH2:27][c:28]2[c:29]([C:35]([F:36])([F:37])[F:38])[cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:25]1)=[O:49])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[Li+:51].[Na+:59].[Na+:60].[OH-:50].[OH2:52].[OH2:66].[OH:53][OH:54].[S:55](=[O:56])([O-:57])[O-:58]>>[C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[c:20]1[cH:21][c:22](-[c:39]2[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]2)[cH:23][c:24]([O:26][CH2:27][c:28]2[c:29]([C:35]([F:36])([F:37])[F:38])[cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:25]1)(=[O:49])[OH:56]