HRID1132730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID16481072

1-(3-Methyl-1,2-oxazol-5-yl)methanamine

C5H8N2O

结构：Cn1c(=O)c(Oc2ccccc2F)cc2cnc(S(C)(=O)=O)nc21

HCID52936315

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CNc2ncc3cc(Oc4ccccc4F)c(=O)n(C)c3n2)on1

HCID23434586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6031c7ca22ee4657ac4cb24f1e4d2d35
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

[CH3:12][OH:13].[CH3:1][c:2]1[n:3][o:4][c:5]([CH2:7][NH2:8])[cH:6]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[ClH:9].[F:14][c:15]1[c:16]([O:17][c:18]2[cH:19][c:20]3[c:21]([n:22][c:23]([S:26]([CH3:27])(=[O:28])=[O:29])[n:24][cH:25]3)[n:30]([CH3:33])[c:31]2=[O:32])[cH:34][cH:35][cH:36][cH:37]1.[K+:11].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH-:10].[OH2:43]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH2:7][NH:8][c:23]2[n:22][c:21]3[c:20]([cH:19][c:18]([O:17][c:16]4[c:15]([F:14])[cH:37][cH:36][cH:35][cH:34]4)[c:31](=[O:32])[n:30]3[CH3:33])[cH:25][n:24]2)[cH:6]1