HRID213189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID4712653

tert-Butyl methyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C18H28BNO4

HCID59283041

未命名化合物

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：CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3nc(SCCF)sc3c2)cc1

HCID59283015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ba86642850f4b3385ff9710c34bc94a
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:5]([n:6][c:7]([S:9][CH2:10][CH2:11][F:12])[s:8]2)[cH:13][cH:14]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:15][N:16]([C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[c:24]1[cH:25][cH:26][c:27]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:28][cH:29]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Na+:43].[Na+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1(-[c:27]2[cH:26][cH:25][c:24]([N:16]([CH3:15])[C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:29][cH:28]2)[cH:3][c:4]2[c:5]([n:6][c:7]([S:9][CH2:10][CH2:11][F:12])[s:8]2)[cH:13][cH:14]1