HRID191457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID639844

Methyl indole-6-carboxylate

C10H9NO2

HCID3685624

(2-{[(tert-Butoxycarbonyl)amino]methyl}-4-fluorophenyl)boronic acid

C12H17BFNO4

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID11175076

Methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

C16H18BrNO2

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)[nH]c2c1

HCID68510895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d91d0fa69d3845a4af7c9a336828cb1b
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[nH:3][c:4]2[cH:5][c:6]([C:17](=[O:18])[O:19][CH3:20])[cH:7][cH:8][c:9]2[c:10]1[CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[C:34](=[O:35])([O-:36])[O-:37].[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[NH:47][CH2:48][c:49]1[c:50]([B:56]([OH:57])[OH:58])[cH:51][cH:52][c:53]([F:55])[cH:54]1.[Na+:38].[Na+:39].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[Pd:65]([Cl:66])[Cl:67].[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1.[nH:21]1[c:22]2[c:23]([cH:24][cH:25][c:26]([C:27]([O:28][CH3:29])=[O:30])[cH:31]2)[cH:32][cH:33]1>>[c:2]1(-[c:50]2[c:49]([CH2:48][NH:47][C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:46])[cH:54][c:53]([F:55])[cH:52][cH:51]2)[nH:3][c:4]2[cH:5][c:6]([C:17](=[O:18])[O:19][CH3:20])[cH:7][cH:8][c:9]2[c:10]1[CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1