HRID2142905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID31404

Butylated hydroxytoluene

C15H24O

结构：CC(C)(C)OC(=O)N1CCC(Nc2cccc3cncc(Br)c23)CC1

HCID21979972

未命名化合物

HCID53438229

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cncc2cccc(NC3CCN(C(=O)OC(C)(C)C)CC3)c12

HCID21979942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d4a96d6e9e24b0ea3fa1409dd816099
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([NH:12][CH:13]3[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[c:11]12.[C:41]([c:42]1[c:43]([OH:44])[c:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[cH:50][c:51]([CH3:52])[cH:53]1)([CH3:54])([CH3:55])[CH3:56].[CH2:26]([CH2:27][CH2:39][CH3:40])[C:28]([Sn:29])=[C:30]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[F-:57].[K+:58].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[c:2]1([CH:26]=[CH2:27])[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([NH:12][CH:13]3[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[c:11]12