4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-2H-benzo[B][1,4]oxazin-3(4H)-one → 6-(2-(2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

HRID 1116972Notes

Reaction equation

HRID 1116972 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2.[CH3:27][N:28]1[C:29](=[O:47])[CH2:30][O:31][c:32]2[c:33]1[cH:34][c:35]([B:38]1[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]1)[cH:36][cH:37]2>>[c:2]1(-[c:35]2[cH:34][c:33]3[c:32]([cH:37][cH:36]2)[O:31][CH2:30][C:29](=[O:47])[N:28]3[CH3:27])[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2

Participants

3

Reactant 2

HCID 532172054-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-2H-benzo[B][1,4]oxazin-3(4H)-oneHCID 594023174-(7-bromo-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Product 1

HCID 594022746-(2-(2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Sources & evidence

ORD record
ord-499ad7afe87844a8b18d193020d2a29e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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