HRID1551255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID8857

Ethyl Acetate

C4H8O2

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2049860

2-Chloro-4-methylbenzothiazole

C8H6ClNS

HCID22595874

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID22595852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-808751bec5e443ec9816bbc24e06203e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([CH3:32])[CH:21]=[C:22]([S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[CH2:23][CH2:24]1.[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl-:34].[Cl:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[c:7]([CH3:11])[cH:8][cH:9][cH:10]2.[F-:41].[K+:42].[Li+:33].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1([C:22]2=[CH:21][CH:20]([CH3:32])[N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]2)[s:3][c:4]2[c:5]([n:6]1)[c:7]([CH3:11])[cH:8][cH:9][cH:10]2