HRID281369

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

HCID10855372

Prop-1-en-2-ylboronic Acid

C3H7BO2

结构：Cc1cc(Br)cc2nc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12

HCID57917093

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：C=C(C)c1cc(C)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1

HCID57917006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e3b11a31a614391b27447218cee9d1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH3:37])[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][N:19]4[CH2:20][CH2:21][N:22]([c:25]5[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]5)[CH2:23][CH2:24]4)=[O:35])[cH:14][cH:15]3)[o:9]2)[cH:36]1.[C:38](=[CH2:39])([CH3:40])[B:41]([OH:42])[OH:43].[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:48].[Na+:49].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1([C:38](=[CH2:39])[CH3:40])[cH:3][c:4]([CH3:37])[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][N:19]4[CH2:20][CH2:21][N:22]([c:25]5[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]5)[CH2:23][CH2:24]4)=[O:35])[cH:14][cH:15]3)[o:9]2)[cH:36]1