HRID2333775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)c1ccc(CNC(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)c2ccc(F)cc2)cc1

HCID68490940

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C(C(=O)NCc2ccc(C(=O)NO)cc2)c2ccc(F)cc2)cc(OC)c1OC

HCID74438943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb95b250933a46e882074ada605df13f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:43][OH:44].[CH3:45][C:46](=[O:47])[OH:48].[ClH:1].[F:6][c:7]1[cH:8][cH:9][c:10]([C:13]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]2)=[CH:29][c:30]2[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[cH:11][cH:12]1.[K+:5].[NH2:2][OH:3].[OH-:4].[OH2:42]>>[NH:2]([OH:3])[C:22]([c:21]1[cH:20][cH:19][c:18]([CH2:17][NH:16][C:14]([C:13]([c:10]2[cH:9][cH:8][c:7]([F:6])[cH:12][cH:11]2)=[CH:29][c:30]2[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)=[O:15])[cH:28][cH:27]1)=[O:23]