Hydrochloric Acid → N-(2,6-difluorophenyl)-2-(methyloxy)-5-[3-(2-{[2-(methyloxy)-4-(4-propyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HRID 2127895Notes

Reaction equation

HRID 2127895 reaction equation
[CH3:36][O:37][c:38]1[c:39]([NH2:53])[cH:40][cH:41][c:42]([N:44]2[CH2:45][CH2:46][N:47]([CH2:50][CH2:51][CH3:52])[CH2:48][CH2:49]2)[cH:43]1.[CH3:61][O-:62].[CH3:70][OH:71].[CH3:75][CH2:76][CH2:77][CH2:78][CH2:79][CH3:80].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[Cl:72][CH2:73][Cl:74].[ClH:54].[Na+:63].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH:64][CH2:65][C:66]([F:67])([F:68])[F:69]>>[c:2]1([NH:53][c:39]2[c:38]([O:37][CH3:36])[cH:43][c:42]([N:44]3[CH2:45][CH2:46][N:47]([CH2:50][CH2:51][CH3:52])[CH2:48][CH2:49]3)[cH:41][cH:40]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 64092,2,2-TrifluoroethanolHCID 8058HexaneHCID 312751,4-DioxaneHCID 3826051MethoxideHCID 594525905-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamideHCID 598602822-(Methyloxy)-4-(4-propyl-1-piperazinyl)aniline

Product 1

HCID 59452586N-(2,6-difluorophenyl)-2-(methyloxy)-5-[3-(2-{[2-(methyloxy)-4-(4-propyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

Sources & evidence

ORD record
ord-abdef08f2e55452d8458ce1c92148939
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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