Acetate → (2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-6-[1-methyl-5-({5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo-1,6-dihydropyridin-3-yl]phenyl)methyl Acetate

HRID 2158796Notes

Reaction equation

HRID 2158796 reaction equation
[Br:36][c:37]1[cH:38][c:39]([NH:45][c:46]2[n:47][cH:48][c:49]([N:52]3[CH2:53][CH2:54][N:55]([CH:58]4[CH2:59][O:60][CH2:61]4)[CH2:56][CH2:57]3)[cH:50][cH:51]2)[c:40](=[O:44])[n:41]([CH3:43])[cH:42]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:35])[c:23]3[cH:24][c:25]4[c:29]([n:30]3[CH2:31][CH2:32]2)[CH2:28][C:27]([CH3:33])([CH3:34])[CH2:26]4)[cH:8][cH:9][cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1.[C:62]([O-:63])(=[O:64])[CH3:65].[CH3:67][C:68]#[N:69].[Na+:66]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:35])[c:23]3[cH:24][c:25]4[c:29]([n:30]3[CH2:31][CH2:32]2)[CH2:28][C:27]([CH3:33])([CH3:34])[CH2:26]4)[cH:8][cH:9][cH:10][c:11]1-[c:37]1[cH:38][c:39]([NH:45][c:46]2[n:47][cH:48][c:49]([N:52]3[CH2:53][CH2:54][N:55]([CH:58]4[CH2:59][O:60][CH2:61]4)[CH2:56][CH2:57]3)[cH:50][cH:51]2)[c:40](=[O:44])[n:41]([CH3:43])[cH:42]1

Participants

6

Reactant 5

HCID 175AcetateHCID 923Sodium ionHCID 6342AcetonitrileHCID 580437945-Bromo-1-methyl-3-(5-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)pyridin-2(1H)-oneHCID 670162762-(Acetoxymethyl)-3-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)phenylboronic Acid Pinacol Ester

Product 1

HCID 67016285(2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-6-[1-methyl-5-({5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo-1,6-dihydropyridin-3-yl]phenyl)methyl Acetate

Sources & evidence

ORD record
ord-d7e4d49234134653a6e5abfb728b0751
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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