5-Bromo-1-methyl-3-(2-(oxetan-3-yl)-1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazin-2(1H)-one → (2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[2-(oxetan-3-yl)-1,2,3,4-tetrahydroisoquinolin-6-yl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate

HRID 209215Notes

Reaction equation

HRID 209215 reaction equation
[Br:78][c:79]1[n:80][c:81]([NH:87][c:88]2[cH:89][c:90]3[c:95]([cH:96][cH:97]2)[CH2:94][N:93]([CH:98]2[CH2:99][O:100][CH2:101]2)[CH2:92][CH2:91]3)[c:82](=[O:86])[n:83]([CH3:85])[cH:84]1.[C:1]([O:2][CH2:3][c:4]1[c:5]([N:6]2[CH2:7][CH2:8][n:9]3[c:10]4[c:15]([cH:16][c:17]3[C:18]2=[O:19])[CH2:14][CH2:13][CH2:12][CH2:11]4)[cH:20][cH:21][cH:22][c:23]1-[c:24]1[cH:25][c:26]([NH:27][c:28]2[cH:29][cH:30][c:31]([F:32])[cH:33][n:34]2)[c:35](=[O:36])[n:37]([CH3:38])[cH:39]1)(=[O:40])[CH3:41].[C:42]([CH3:43])(=[O:44])[O:45][CH2:46][c:47]1[c:48]([N:63]2[C:64](=[O:77])[c:65]3[s:66][c:67]4[c:71]([c:72]3[CH2:73][CH2:74]2)[CH2:70][C:69]([CH3:75])([CH3:76])[CH2:68]4)[cH:49][c:50]([F:62])[cH:51][c:52]1[B:53]1[O:54][C:55]([CH3:56])([CH3:57])[C:58]([CH3:59])([CH3:60])[O:61]1>>[C:42]([CH3:43])(=[O:44])[O:45][CH2:46][c:47]1[c:48]([N:63]2[C:64](=[O:77])[c:65]3[s:66][c:67]4[c:71]([c:72]3[CH2:73][CH2:74]2)[CH2:70][C:69]([CH3:75])([CH3:76])[CH2:68]4)[cH:49][c:50]([F:62])[cH:51][c:52]1-[c:79]1[n:80][c:81]([NH:87][c:88]2[cH:89][c:90]3[c:95]([cH:96][cH:97]2)[CH2:94][N:93]([CH:98]2[CH2:99][O:100][CH2:101]2)[CH2:92][CH2:91]3)[c:82](=[O:86])[n:83]([CH3:85])[cH:84]1

Participants

4

Reactant 3

HCID 580442615-Bromo-1-methyl-3-(2-(oxetan-3-yl)-1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazin-2(1H)-oneHCID 67016224(2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl AcetateHCID 680965952-(5-(5-Fluoropyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

Product 1

HCID 68096903(2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[2-(oxetan-3-yl)-1,2,3,4-tetrahydroisoquinolin-6-yl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate

Sources & evidence

ORD record
ord-4a1235cc78f64f75beacde54d5f2a01b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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