5-Bromo-1-methyl-3-(4-(1-methylpiperidin-4-yl)phenylamino)pyrazin-2(1H)-one → (2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate

HRID 184892Notes

Reaction equation

HRID 184892 reaction equation
[Br:1][c:2]1[n:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:24]([CH3:25])(=[O:26])[O:27][CH2:28][c:29]1[c:30]([B:51]2[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]2)[cH:31][c:32]([F:50])[cH:33][c:34]1[N:35]1[C:36](=[O:49])[c:37]2[cH:38][c:39]3[c:43]([n:44]2[CH2:45][CH2:46]1)[CH2:42][C:41]([CH3:47])([CH3:48])[CH2:40]3>>[c:2]1(-[c:30]2[c:29]([CH2:28][O:27][C:24]([CH3:25])=[O:26])[c:34]([N:35]3[C:36](=[O:49])[c:37]4[cH:38][c:39]5[c:43]([n:44]4[CH2:45][CH2:46]3)[CH2:42][C:41]([CH3:47])([CH3:48])[CH2:40]5)[cH:33][c:32]([F:50])[cH:31]2)[n:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

3

Reactant 2

HCID 580439475-Bromo-1-methyl-3-(4-(1-methylpiperidin-4-yl)phenylamino)pyrazin-2(1H)-oneHCID 670162322-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate

Product 1

HCID 68208429(2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate

Sources & evidence

ORD record
ord-6e8e3b5729ff440292ffaabdb54df338
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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