HRID690064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID536422

O-Isobutylhydroxylamine

C4H11NO

结构：COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F

HCID25181547

4-Amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acid

C13H9Cl2FN2O3

PRODUCTS

生成物

结构：COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)NOCC(C)C)n2)c1F

HCID59471246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a57543e7801e4e318b103c069a7a0939
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:2]([CH:3]([CH3:4])[CH3:5])[O:6][NH2:7].[CH2:30]([N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH3:40].[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[Cl:54][CH2:55][CH2:56][Cl:57].[ClH:1].[ClH:29].[NH2:8][c:9]1[c:10]([Cl:28])[c:11]([C:25](=[O:26])[OH:27])[n:12][c:13](-[c:15]2[c:16]([F:24])[c:17]([O:22][CH3:23])[c:18]([Cl:21])[cH:19][cH:20]2)[cH:14]1>>[CH2:2]([CH:3]([CH3:4])[CH3:5])[O:6][NH:7][C:25]([c:11]1[c:10]([Cl:28])[c:9]([NH2:8])[cH:14][c:13](-[c:15]2[c:16]([F:24])[c:17]([O:22][CH3:23])[c:18]([Cl:21])[cH:19][cH:20]2)[n:12]1)=[O:26]