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

HRID 1148627Notes

Reaction equation

HRID 1148627 reaction equation
[CH3:36][CH:37]([CH3:38])[N:39]1[CH2:40][CH2:41][N:42]([c:45]2[cH:46][c:47]([O:52][CH3:53])[c:48]([NH2:49])[cH:50][cH:51]2)[CH2:43][CH2:44]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:49][c:48]2[c:47]([O:52][CH3:53])[cH:46][c:45]([N:42]3[CH2:41][CH2:40][N:39]([CH:37]([CH3:36])[CH3:38])[CH2:44][CH2:43]3)[cH:51][cH:50]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 457907394-(4-Isopropylpiperazin-1-YL)-2-methoxyphenylamineHCID 594525905-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamide

Product 1

HCID 59452823N-(2,6-difluorophenyl)-5-[3-(2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]-amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide

Sources & evidence

ORD record
ord-8d30b8e00761453b8702741fe8cc4114
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…