HRID2137797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2763271

6-(Dimethylamino)pyridine-3-boronic acid

C7H11BN2O2

结构：O=C1Nc2cccc(Br)c2C12COc1cc3c(cc12)OCO3

HCID59263372

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)c1ccc(-c2cccc3c2C2(COc4cc5c(cc42)OCO5)C(=O)N3)cn1

HCID59352148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2b2bb02adbf4658b3e6c1724188b4b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:22])[C:10]21[CH2:11][O:12][c:13]2[c:14]1[cH:15][c:16]1[c:17]([cH:21]2)[O:18][CH2:19][O:20]1.[CH3:23][N:24]([c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][n:30]1)[CH3:34].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([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)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]([N:24]([CH3:23])[CH3:34])[n:30][cH:29]2)[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:22])[C:10]21[CH2:11][O:12][c:13]2[c:14]1[cH:15][c:16]1[c:17]([cH:21]2)[O:18][CH2:19][O:20]1