Bromide ion → methyl 4-(8-cyclopropyl-2-{[6-(1-methyl-1H-pyrazol-4-yl)-4-oxospiro[chroman-2,4'-piperidin]-1'-yl]carbonyl}quinolin-4-yl)benzoate

HRID 2323689Notes

Reaction equation

HRID 2323689 reaction equation
[Br-:67].[CH2:68]([N+:69]([CH2:70][CH2:71][CH2:72][CH3:73])([CH2:74][CH2:75][CH2:76][CH3:77])[CH2:78][CH2:79][CH2:80][CH3:81])[CH2:82][CH2:83][CH3:84].[CH3:54][O:55][C:56](=[O:57])[c:58]1[cH:59][cH:60][c:61]([B:64]([OH:65])[OH:66])[cH:62][cH:63]1.[CH3:85][C:86]#[N:87].[F:9][C:10]([F:11])([F:12])[S:13]([O:14][c:15]1[cH:16][c:17]([C:28](=[O:29])[N:30]2[CH2:31][CH2:32][C:33]3([O:34][c:35]4[cH:36][cH:37][c:38](-[c:44]5[cH:45][n:46][n:47]([CH3:49])[cH:48]5)[cH:39][c:40]4[C:41](=[O:43])[CH2:42]3)[CH2:50][CH2:51]2)[n:18][c:19]2[c:20]([CH:25]3[CH2:26][CH2:27]3)[cH:21][cH:22][cH:23][c:24]12)(=[O:52])=[O:53].[K+:6].[K+:7].[K+:8].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[c:15]1(-[c:61]2[cH:60][cH:59][c:58]([C:56]([O:55][CH3:54])=[O:57])[cH:63][cH:62]2)[cH:16][c:17]([C:28](=[O:29])[N:30]2[CH2:31][CH2:32][C:33]3([O:34][c:35]4[cH:36][cH:37][c:38](-[c:44]5[cH:45][n:46][n:47]([CH3:49])[cH:48]5)[cH:39][c:40]4[C:41](=[O:43])[CH2:42]3)[CH2:50][CH2:51]2)[n:18][c:19]2[c:20]([CH:25]3[CH2:26][CH2:27]3)[cH:21][cH:22][cH:23][c:24]12

Participants

8

Reactant 7

HCID 259Bromide ionHCID 813Potassium Cation3×HCID 1061PhosphateHCID 6342AcetonitrileHCID 16028TetrabutylammoniumHCID 27343694-Methoxycarbonylphenylboronic acidHCID 582086748-cyclopropyl-2-{[6-(1-methyl-1H-pyrazol-4-yl)-4-oxospiro[chroman-2,4'-piperidin]-1'-yl]carbonyl}quinolin-4-yl trifluoromethanesulfonate

Product 1

HCID 58208703methyl 4-(8-cyclopropyl-2-{[6-(1-methyl-1H-pyrazol-4-yl)-4-oxospiro[chroman-2,4'-piperidin]-1'-yl]carbonyl}quinolin-4-yl)benzoate

Sources & evidence

ORD record
ord-d205b0bd34c24cd6828dc853a23220d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…