Potassium Cation → {2-[1-Methyl-5-({5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}amino)-6-oxo-1,6-dihydropyridin-3-yl]-6-{6-oxo-8-thia-5 azatricyclo[7.4.0.02,7]-trideca-1(9),2(7)-dien-5-yl}phenyl}methyl Acetate

HRID 305527Notes

Reaction equation

HRID 305527 reaction equation
[Br:35][c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][n:47]3[c:48]([cH:54]2)[CH2:49][N:50]([CH3:53])[CH2:51][CH2:52]3)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[c:24]([c:27]4[c:28]([s:29]3)[CH2:30][CH2:31][CH2:32][CH2:33]4)[CH2:25][CH2:26]2)[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.[CH3:63][C:64]#[N:65].[K+:60].[K+:61].[K+:62].[OH2:66].[P:55]([O-:56])([O-:57])([O-:58])=[O:59]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[c:24]([c:27]4[c:28]([s:29]3)[CH2:30][CH2:31][CH2:32][CH2:33]4)[CH2:25][CH2:26]2)[cH:8][cH:9][cH:10][c:11]1-[c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][n:47]3[c:48]([cH:54]2)[CH2:49][N:50]([CH3:53])[CH2:51][CH2:52]3)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6342AcetonitrileHCID 580437182-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl AcetateHCID 580438845-Bromo-1-methyl-3-(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2(1H)-one

Product 1

HCID 68096607{2-[1-Methyl-5-({5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}amino)-6-oxo-1,6-dihydropyridin-3-yl]-6-{6-oxo-8-thia-5 azatricyclo[7.4.0.02,7]-trideca-1(9),2(7)-dien-5-yl}phenyl}methyl Acetate

Sources & evidence

ORD record
ord-dd41099c8690497ebe75e4383735e605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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