HRID204919

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

HCID53409548

3-[3-(Phenylmethoxy)propyl]pyrrolidine

C14H21NO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1cncc(N2CCC(CCCOCc3ccccc3)C2)c1

HCID72273018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d68d9b2763e549f497f4339d01fe613c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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