HRID191682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID136927

2-Methyl-2H-pyrazol-3-ylamine

C4H7N3

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2

HCID2794759

tert-Butyl 6-bromo-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

C18H22BrNO4

PRODUCTS

生成物

结构：Cn1nccc1Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

HCID57931025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7d73d24648f494fb249d6dca50b78a6
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:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7]1([CH2:6][C:5]2=[O:24])[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]1.[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([CH3:50])([CH3:51])[CH3:52].[C:53](=[O:54])([O-:55])[O-:56].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[Cs+:57].[Cs+:58].[NH2:25][c:26]1[cH:27][cH:28][n:29][n:30]1[CH3:31].[Pd+2:69]>>[c:2]1([NH:25][c:26]2[cH:27][cH:28][n:29][n:30]2[CH3:31])[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7]1([CH2:6][C:5]2=[O:24])[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]1