HRID667912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID4574913

未命名化合物

HCID18458685

1-Pyrrolidinecarboxylic acid, 2-[[(5-bromo-3-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester

C15H21BrN2O3

HCID20735324

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1cncc(N2CCC(CCOCc3ccc(F)cc3)CC2)c1

HCID72273231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49bc61bfb0be4843aa39591d9f4dcada
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

[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([O:8][CH2:9][CH:10]2[N:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:12][CH2:13][CH2:14]2)[cH:7]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[F:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][O:28][CH2:29][CH2:30][CH:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:37][cH:38]1.[Na+:44].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:132]=[C:133]([CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1)[CH:142]=[CH:143][c:144]1[cH:145][cH:146][cH:147][cH:148][cH:149]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:94].[Pd:95].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[c:54]3[c:78]([cH:79][cH:80][cH:81]2)[C:75]([CH3:76])([CH3:77])[c:57]2[c:56]([c:61]([P:62]([c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:60][cH:59][cH:58]2)[O:55]3)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([N:34]2[CH2:33][CH2:32][CH:31]([CH2:30][CH2:29][O:28][CH2:27][c:26]3[cH:25][cH:24][c:23]([F:22])[cH:38][cH:37]3)[CH2:36][CH2:35]2)[cH:3][n:4][cH:5][c:6]([O:8][CH2:9][CH:10]2[N:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:12][CH2:13][CH2:14]2)[cH:7]1