HRID801583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID61778

Bisulfate anion

HO4S-

HCID12713810

未命名化合物

HCID149853696

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C=NOCC2CC2)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID156454

Cyano(3-phenoxyphenyl)methyl 3-[[(cyclopropylmethoxy)imino]methyl]-2,2-dimethylcyclopropanecarboxylate

C25H26N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34d4eaa8cbac4ba195cab3b9d08ef4e2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:16](#[N:17])[CH:18]([c:19]1[cH:20][c:21]([O:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:22][cH:23][cH:24]1)[Br:32].[C:33](=[O:34])([O-:35])[O-:36].[CH2:51]([N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[CH2:69]([N+:70]([CH2:71][CH3:72])([CH2:73][CH3:74])[CH2:75][CH3:76])[c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH3:1][C:2]1([CH3:15])[CH:3]([C:12](=[O:13])[OH:14])[CH:4]1[CH:5]=[N:6][O:7][CH2:8][CH:9]1[CH2:10][CH2:11]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl-:68].[K+:37].[K+:38].[OH2:83].[S:46]([O-:47])([OH:48])(=[O:49])=[O:50]>>[CH3:1][C:2]1([CH3:15])[CH:3]([C:12](=[O:13])[O:14][CH:18]([C:16]#[N:17])[c:19]2[cH:20][c:21]([O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:22][cH:23][cH:24]2)[CH:4]1[CH:5]=[N:6][O:7][CH2:8][CH:9]1[CH2:10][CH2:11]1