HRID838298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID98723

4-(1-Oxo-2-propenyl)-morpholine

C7H11NO2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)n1cc(Br)c2cc(OCc3ccccc3)ccc21

HCID40428554

tert-Butyl 5-(benzyloxy)-3-bromo-1H-indole-1-carboxylate

C20H20BrNO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1cc(C=CC(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc21

HCID67227352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57a068e741454235aa4cb3aa376eae3f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:78]([O-:79])(=[O:80])[CH3:81].[C:83]([O-:84])(=[O:85])[CH3:86].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12]([Br:25])[cH:13][n:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:15]2[cH:16][cH:17]1.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl-:76].[NH4+:77].[O:26]1[CH2:27][CH2:28][N:29]([C:32]([CH:33]=[CH2:34])=[O:35])[CH2:30][CH2:31]1.[Pd+2:82].[c:36]1([CH3:37])[cH:38][cH:39][cH:40][cH:41][c:42]1[P:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12]([CH:34]=[CH:33][C:32]([N:29]3[CH2:28][CH2:27][O:26][CH2:31][CH2:30]3)=[O:35])[cH:13][n:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:15]2[cH:16][cH:17]1