Ammonium → Taselisib

HRID 2131271Notes

Reaction equation

HRID 2131271 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:34])[n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:33]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20](-[c:22]2[cH:23][n:24][n:25]([C:27]([C:28](=[O:29])[OH:30])([CH3:31])[CH3:32])[cH:26]2)[cH:21]1.[CH:37]([N:40]([CH2:38][CH3:39])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl-:35].[NH4+:36].[Na+:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:34])[n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:33]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20](-[c:22]2[cH:23][n:24][n:25]([C:27]([C:28](=[O:29])[NH2:40])([CH3:31])[CH3:32])[cH:26]2)[cH:21]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 582043942-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid

Product 1

HCID 51001932Taselisib

Sources & evidence

ORD record
ord-f4da543ec5cd4c0d827aa162b022bba5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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