Hydrochloric Acid → Hydrochloric Acid

HRID 199846Notes

Reaction equation

HRID 199846 reaction equation
[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:1][CH2:2][CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][cH:14]2.[ClH:16].[ClH:17].[F:18][c:19]1[cH:20][cH:21][c:22]([CH2:25][n:26]2[c:27]([NH:35][CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[n:28][c:29]3[c:30]2[n:31][cH:32][cH:33][cH:34]3)[cH:23][cH:24]1.[I-:49].[K+:48].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47]>>[CH2:2]([CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][cH:14]2)[N:39]1[CH2:38][CH2:37][CH:36]([NH:35][c:27]2[n:26]([CH2:25][c:22]3[cH:21][cH:20][c:19]([F:18])[cH:24][cH:23]3)[c:30]3[c:29]([n:28]2)[cH:34][cH:33][cH:32][n:31]3)[CH2:41][CH2:40]1.[ClH:16].[ClH:1]

Participants

10

Reactant 8

HCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 8178663-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-oneHCID 128917673-[(4-fluorophenyl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine

Product 2

HCID 313Hydrochloric Acid2×HCID 139831773-[2-[4-[[3-[(4-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

Sources & evidence

ORD record
ord-5abdebc56c3b47608e6c5516ae652004
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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