HRID102589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl

HCID59165796

未命名化合物

HCID59165936

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1(3H)-isobenzofuranone

C14H17BO4

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：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2c(c1)C(=O)OC2

HCID59166113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d2620ad5c2049609f70ea5d522ce90f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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