HRID2348888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID58728992

未命名化合物

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

HCID58728993

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：CCOC(=O)c1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)cc1

HCID11852566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59ebc49c30774ee8956835950a059bb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:32][c:33]2[c:34]([CH3:48])[c:35]([B:39]3[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]3)[cH:36][cH:37][cH:38]2)[cH:49][cH:50]1.[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][c:14]([Br:20])[cH:15][n:16]([CH3:19])[c:17]2=[O:18])[cH:9][cH:10]1)=[O:21].[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[OH2:140].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([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)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([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)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][c:14](-[c:35]3[c:34]([CH3:48])[c:33]([NH:32][C:30]([c:29]4[cH:28][cH:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:50][cH:49]4)=[O:31])[cH:38][cH:37][cH:36]3)[cH:15][n:16]([CH3:19])[c:17]2=[O:18])[cH:9][cH:10]1)=[O:21]