HRID1224343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734344

4-(Dimethylamino)phenylboronic acid

C8H12BNO2

结构：COC(=O)c1cc(Cl)cc2c1NC(c1cccc(Br)c1)C(C)(C)C2

HCID67442058

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：COC(=O)c1cc(Cl)cc2c1NC(c1cccc(-c3ccc(N(C)C)cc3)c1)C(C)(C)C2

HCID67443899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffd7ad4ce3da4b71bbeb2580eefb2fd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:24])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([Br:21])[cH:18][cH:19][cH:20]1)[C:11]([CH3:22])([CH3:23])[CH2:10]2.[CH3:25][N:26]([c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1)[CH3:36].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:49].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:24])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17](-[c:30]3[cH:29][cH:28][c:27]([N:26]([CH3:25])[CH3:36])[cH:32][cH:31]3)[cH:18][cH:19][cH:20]1)[C:11]([CH3:22])([CH3:23])[CH2:10]2