HRID1114612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID784

Hydrogen peroxide

H2O2

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：O=C(Nc1cccc(COc2ccc(C(CC(=O)N3C(=O)OCC3Cc3ccccc3)c3ccon3)cc2)c1)c1ccc(C(F)(F)F)cc1

HCID72251001

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CC(c1ccc(OCc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1)c1ccon1

HCID67329701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb44037a95d640b09a4ef96e65b8c70c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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