HRID689627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2728482

N-Boc-5-bromoindole

C13H14BrNO2

结构：c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1

HCID4285986

[Oxydi(2,1-phenylene)]bis(diphenylphosphane)

C36H28OP2

HCID4574913

未命名化合物

HCID67018450

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccccc1Sc1ccc2c(ccn2C(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C

HCID67018446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b17bb21688745848d323661171b9be7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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