HRID1220049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID57443504

未命名化合物

结构：CCC(CC)(c1ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID76599672

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)Cc1ccc(-c2ccc(C(CC)(CC)c3ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c3)cc2C)nc1

HCID76545463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd42436048b84504ab740b88b1defbaa
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

[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:21])[c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1)[c:22]1[cH:23][c:24]([CH3:40])[c:25]([CH:28]=[CH:29][C:30]([C:31]([F:32])([F:33])[F:34])([OH:35])[C:36]([F:37])([F:38])[F:39])[cH:26][cH:27]1.[CH2:41]([CH3:42])[O:43][C:44]([CH2:45][c:46]1[cH:47][cH:48][c:49]([Br:52])[n:50][cH:51]1)=[O:53].[K+:59].[K+:60].[K+:61].[OH2:139].[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([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)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:21])[c:9](-[c:49]2[cH:48][cH:47][c:46]([CH2:45][C:44]([O:43][CH2:41][CH3:42])=[O:53])[cH:51][n:50]2)[cH:10][cH:11]1)[c:22]1[cH:23][c:24]([CH3:40])[c:25]([CH:28]=[CH:29][C:30]([C:31]([F:32])([F:33])[F:34])([OH:35])[C:36]([F:37])([F:38])[F:39])[cH:26][cH:27]1