HRID193332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID44119094

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

C14H19BO3

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)cc3c2cnn3C2CCCC2)c(=O)[nH]1

HCID54597074

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：Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C=O)cc3C)cc3c2cnn3C2CCCC2)c(=O)[nH]1

HCID86703438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d417ecf03bfa4934a112f5b13ff3a7bf
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]([C:16](=[O:17])[NH:18][CH2:19][c:20]2[c:21](=[O:28])[nH:22][c:23]([CH3:27])[cH:24][c:25]2[CH3:26])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[cH:10]1.[C:47](=[O:48])([O-:49])[O-:50].[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:29][c:30]1[cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36][c:37]1[B:38]1[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]1.[Na+:51].[Na+:52].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:2]1(-[c:37]2[c:30]([CH3:29])[cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36]2)[cH:3][c:4]([C:16](=[O:17])[NH:18][CH2:19][c:20]2[c:21](=[O:28])[nH:22][c:23]([CH3:27])[cH:24][c:25]2[CH3:26])[c:5]2[cH:6][n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[c:9]2[cH:10]1