Bromide ion → (+/-)-1-(6-Isobutylpyridin-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl 4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate

HRID 665491

Reaction equation

HRID 665491 reaction equation
[Br-:41].[CH2:42]([CH:43]([CH3:44])[CH3:45])[Zn+:46].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[N:8]([CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][CH:22]([CH2:23][c:24]3[cH:25][c:26]4[cH:27][n:28][nH:29][c:30]4[c:31]([CH3:33])[cH:32]3)[c:34]3[n:35][c:36]([Br:40])[cH:37][cH:38][cH:39]3)[CH2:17][CH2:18]1)[CH2:7]2.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[N:8]([CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][CH:22]([CH2:23][c:24]3[cH:25][c:26]4[cH:27][n:28][nH:29][c:30]4[c:31]([CH3:33])[cH:32]3)[c:34]3[n:35][c:36]([CH2:42][CH:43]([CH3:44])[CH3:45])[cH:37][cH:38][cH:39]3)[CH2:17][CH2:18]1)[CH2:7]2

Participants

5

Reactant 4

HCID 259Bromide ionHCID 11261982(+/-)-1-(6-bromopyridin-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl 4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylateHCID 178420554HCID 178420554, compoundHCID 178448252HCID 178448252, compound

Product 1

HCID 11490161(+/-)-1-(6-Isobutylpyridin-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl 4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-30dc70a40a174abf83d430f941597ef2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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