HRID1228507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

2 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID6946347

未命名化合物

HCID7021479

Methyl o-tolylacetate

C10H12O2

HCID53395349

Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

C12H13BrO3

HCID54028047

Methyl 2-(bromomethyl)-α-(methoxyimino)benzeneacetate

C11H12BrNO3

2 次

PRODUCTS

生成物

HCID54028047

Methyl 2-(bromomethyl)-α-(methoxyimino)benzeneacetate

C11H12BrNO3

HCID54500888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0de9f1403b414e27a541b9db1e525dc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[C:9](=[CH:10][O:11][CH3:12])[C:13]([O:14][CH3:15])=[O:16].[CH2:76]([C:77]([CH3:78])=[O:79])[CH3:80].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1[CH2:28][C:29]([O-:30])=[O:31].[CH3:32][O:33][N:34]=[C:35]([C:36](=[O:37])[O:38][CH3:39])[c:40]1[c:41]([CH2:46][Br:47])[cH:42][cH:43][cH:44][cH:45]1.[CH3:48][O:49][N:50]=[C:51]([C:52](=[O:53])[O:54][CH3:55])[c:56]1[c:57]([CH2:62][Br:63])[cH:58][cH:59][cH:60][cH:61]1.[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][c:70]1[CH2:71][C:72]([O:73][CH3:74])=[O:75].[CH3:81][C:82](=[O:83])[CH3:84].[K+:20].[Na+:18].[OH-:17].[OH-:19]>>[CH3:32][O:33][N:34]=[C:35]([C:36](=[O:37])[O:38][CH3:39])[c:40]1[c:41]([CH2:46][Br:47])[cH:42][cH:43][cH:44][cH:45]1.[CH3:48][O:49][N:50]=[C:51]([C:52](=[O:53])[O:54][CH3:55])[c:56]1[c:57]([CH3:62])[cH:58][cH:59][cH:60][cH:61]1