Sodium ion → Tazemetostat

HRID 678866Notes

Reaction equation

HRID 678866 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[C:53](=[O:54])([O-:55])[O-:56].[CH3:31][C:32]1([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37][B:38]([c:39]2[cH:40][cH:41][c:42]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:50][cH:51]2)[O:52]1.[Na+:57].[Na+:58].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH2:59]>>[c:2]1(-[c:39]2[cH:40][cH:41][c:42]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:50][cH:51]2)[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27955024-((Morpholino)methyl)phenylboronic acid pinacol esterHCID 665767905-Bromo-N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzamide

Product 1

HCID 66558664Tazemetostat

Sources & evidence

ORD record
ord-7752dfc716ed4021b6995998c69ed607
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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