HRID1138755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID1140

Toluene

C7H8

HCID12070

Benzoic acid, 3-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID14523560

1-{4-[(3-Aminophenyl)methoxy]-2-hydroxy-3-propylphenyl}ethan-1-one

C18H21NO3

PRODUCTS

生成物

结构：CCCc1c(OCc2cccc(Nc3cccc(C(=O)OC)c3)c2)ccc(C(C)=O)c1O

HCID68533156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3551678c078b4ae8bbe72cde06474ef7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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