Potassium Cation → [4-(2-Azepan-1-yl-ethoxy)-phenyl]-[6-methoxy-2-(2,4,6-trifluoro phenyl)-naphthalen-1-yl]-methanone

HRID 2153395Notes

Reaction equation

HRID 2153395 reaction equation
[CH3:59][OH:60].[Cl:66][CH2:67][Cl:68].[F:39][c:40]1[c:41]([B:48]([OH:49])[OH:50])[c:42]([F:47])[cH:43][c:44]([F:46])[cH:45]1.[K+:56].[K+:57].[K+:58].[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P:51]([O-:52])([O-:53])([O-:54])=[O:55].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([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)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([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)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([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)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18](-[c:41]4[c:40]([F:39])[cH:45][c:44]([F:46])[cH:43][c:42]4[F:47])[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 887MethanolHCID 1061PhosphateHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 27793292,4,6-Trifluorophenylboronic AcidHCID 57552509Trifluoromethanesulfonic acid 1-[4-(2-azepan-1-yl-ethoxy)-benzoyl]-6-methoxynaphthalen-2-yl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 57552563[4-(2-Azepan-1-yl-ethoxy)-phenyl]-[6-methoxy-2-(2,4,6-trifluoro phenyl)-naphthalen-1-yl]-methanone

Sources & evidence

ORD record
ord-bdf4093bb5f0479d8ecd1475fdb7f009
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…