Hydrochloric Acid → 5-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(methyloxy)benzamide

HRID 2156425Notes

Reaction equation

HRID 2156425 reaction equation
[CH3:65][O-:66].[CH3:74][OH:75].[CH3:79][CH2:80][CH2:81][CH2:82][CH2:83][CH3:84].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([O:35][CH3:36])[c:22]([C:23](=[O:24])[NH:25][c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])[cH:34]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][c:15]([F:17])[cH:16]3)[n:7]1.[Cl:76][CH2:77][Cl:78].[ClH:58].[N:37]1([CH:43]2[CH2:44][CH2:45][N:46]([c:49]3[cH:50][c:51]([O:56][CH3:57])[c:52]([NH2:53])[cH:54][cH:55]3)[CH2:47][CH2:48]2)[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Na+:67].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[OH:68][CH2:69][C:70]([F:71])([F:72])[F:73]>>[c:2]1([NH:53][c:52]2[c:51]([O:56][CH3:57])[cH:50][c:49]([N:46]3[CH2:45][CH2:44][CH:43]([N:37]4[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]4)[CH2:48][CH2:47]3)[cH:55][cH:54]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([O:35][CH3:36])[c:22]([C:23](=[O:24])[NH:25][c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])[cH:34]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][c:15]([F:17])[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 594529085-[3-(2-chloro-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(methyloxy)benzamideHCID 597120872-Methoxy-4-[4-(1-piperidyl)-1-piperidyl]aniline

Product 1

HCID 594529365-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(methyloxy)benzamide

Sources & evidence

ORD record
ord-fe6949a41c4a4a34a7a25e7dfd71fd32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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