HRID2322077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID7863

Acetaldehyde oxime

C2H5NO

HCID8471

Triethylamine

C6H15N

HCID10908

tert-Butyl acetate

C6H12O2

HCID19660

Carbonate

CO3-2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID196869

Methyl 2-iodoisonicotinate

C7H6INO2

HCID3028194

Lithium

HCID69687972

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(C(=O)CC(=O)OC(C)(C)C)ccn2)on1

HCID69688172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d258dceb1ce94a9185436168719d65e2
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

[C:52]([CH3:53])(=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59].[CH3:17][O:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][n:24][c:25]([I:26])[cH:27]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6](-[c:10]2[cH:11][c:12]([CH3:15])[n:13][o:14]2)[n:7][cH:8][cH:9]1)=[O:16].[CH3:28][Si:29]([C:30]#[CH:31])([CH3:32])[CH3:33].[CH3:61][OH:62].[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[CH:48](=[N:49][OH:50])[CH3:51].[Cl:40][N:41]1[C:42](=[O:43])[CH2:44][CH2:45][C:46]1=[O:47].[Cl:63][CH:64]([Cl:65])[Cl:66].[K+:34].[K+:35].[Li:60].[O-:36][C:37]([O-:38])=[O:39].[cH:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1>>[C:3]([c:4]1[cH:5][c:6](-[c:10]2[cH:11][c:12]([CH3:15])[n:13][o:14]2)[n:7][cH:8][cH:9]1)(=[O:16])[CH2:53][C:52](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59]