HRID1569692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6386

tert-Butyl alcohol

C4H10O

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID3365553

Oxolan-3-amine

C4H9NO

HCID4574913

未命名化合物

HCID75596878

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N1CCOC(c2ccc(NC3CCOC3)cc2)C1

HCID178436063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-019a00193a9e45e394372ee38d7e9e2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:18][c:19]1[cH:20][cH:21][c:22]([CH:25]2[O:26][CH2:27][CH2:28][N:29]([CH:31]([CH3:32])[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:30]2)[cH:23][cH:24]1.[C:39]([P:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1-[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)([CH3:57])([CH3:58])[CH3:59].[C:71]([O-:72])(=[O:73])[CH3:74].[C:76]([O-:77])(=[O:78])[CH3:79].[CH3:60][C:61]([CH3:62])([O-:63])[CH3:64].[CH3:66][C:67]([OH:68])([CH3:69])[CH3:70].[NH2:12][CH:13]1[CH2:14][O:15][CH2:16][CH2:17]1.[Na+:65].[Pd+2:75].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:12]([CH:13]1[CH2:14][O:15][CH2:16][CH2:17]1)[c:19]1[cH:20][cH:21][c:22]([CH:25]2[O:26][CH2:27][CH2:28][N:29]([CH:31]([CH3:32])[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:30]2)[cH:23][cH:24]1