HRID1230356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID10824

3-Methoxyaniline

C7H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：COc1ccc(C2(c3cccc(Br)c3)COC(N)=N2)cc1

HCID57825178

未命名化合物

结构：CCCc1cc(CCC)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(CCC)c1

HCID67346612

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(c3cccc(Nc4cccc(OC)c4)c3)COC(N)=N2)cc1

HCID57825177

(RS)-4-(4-Methoxy-phenyl)-4-[3-(3-methoxy-phenylamino)-phenyl]-4,5-dihydro-oxazol-2-ylamine

C23H23N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c876dd799794af1a4e33e1f6aabb6bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[N:9]=[C:10]([NH2:13])[O:11][CH2:12]2)[cH:5][cH:6][cH:7]1.[C:28]([P:29]([C:30]([CH3:31])([CH3:32])[CH3:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1-[c:40]1[c:41]([CH2:42][CH2:43][CH3:44])[cH:45][c:46]([CH2:47][CH2:48][CH3:49])[cH:50][c:51]1[CH2:52][CH2:53][CH3:54])([CH3:55])([CH3:56])[CH3:57].[CH3:123][CH2:124][O:125][C:126](=[O:127])[CH3:128].[CH3:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[CH3:58][O:59][c:60]1[cH:61][c:62]([NH2:63])[cH:64][cH:65][cH:66]1.[Na+:27].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[OH2:129].[Pd:67].[Pd:68]>>[c:2]1([NH:63][c:62]2[cH:61][c:60]([O:59][CH3:58])[cH:66][cH:65][cH:64]2)[cH:3][c:4]([C:8]2([c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[N:9]=[C:10]([NH2:13])[O:11][CH2:12]2)[cH:5][cH:6][cH:7]1