Methanol → N-(2,6-difluorophenyl)-3-[7-fluoro-3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HRID 2329476Notes

Reaction equation

HRID 2329476 reaction equation
[CH3:71][O-:72].[CH3:80][OH:81].[CH3:85][CH2:86][CH2:87][CH2:88][CH2:89][CH3:90].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]4[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]4[F:30])[cH:32][cH:33][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:82][CH2:83][Cl:84].[F:35][CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][N:41]([CH:44]2[CH2:45][CH2:46][N:47]([c:50]3[cH:51][c:52]([O:57][CH3:58])[c:53]([NH2:54])[cH:55][cH:56]3)[CH2:48][CH2:49]2)[CH2:42][CH2:43]1.[Na+:73].[OH2:59].[OH:74][CH2:75][C:76]([F:77])([F:78])[F:79].[c:60]1([CH3:61])[cH:62][cH:63][c:64]([S:65]([OH:66])(=[O:67])=[O:68])[cH:69][cH:70]1>>[c:2]1([NH:54][c:53]2[c:52]([O:57][CH3:58])[cH:51][c:50]([N:47]3[CH2:46][CH2:45][CH:44]([N:41]4[CH2:40][CH2:39][N:38]([CH2:37][CH2:36][F:35])[CH2:43][CH2:42]4)[CH2:49][CH2:48]3)[cH:56][cH:55]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]4[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]4[F:30])[cH:32][cH:33][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 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 64092,2,2-TrifluoroethanolHCID 8058HexaneHCID 3826051MethoxideHCID 594529173-[3-(2-chloro-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluoro-phenyl)benzamideHCID 598602604-[4-[4-(2-Fluoroethyl)-1-piperazinyl]-1-piperidinyl]-2-(methyloxy)aniline

Product 1

HCID 59860249N-(2,6-difluorophenyl)-3-[7-fluoro-3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

Sources & evidence

ORD record
ord-4a4c118a97044a7a9a986ada97ed77c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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