HRID187124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID2734321

[1-(tert-Butoxycarbonyl)-1H-pyrrol-2-yl]boronic acid

C9H14BNO4

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

HCID11175076

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

C16H18BrNO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccn3C(=O)OC(C)(C)C)[nH]c2c1

HCID23152766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4df1f4af1be45a2a5ac0f9fb467ca1d
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:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[n:28]1[c:29]([B:33]([OH:34])[OH:35])[cH:30][cH:31][cH:32]1.[CH2:44]([CH2:45][O:46][CH3:47])[O:48][CH3:49].[Cl-:43].[Li+:42].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:50].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:29]2[n:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[cH:32][cH:31][cH:30]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