Methanol → N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(2-(ethyloxy)-5-methyl-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide

HRID 1561474Notes

Reaction equation

HRID 1561474 reaction equation
[CH3:37][c:38]1[c:39]([N:48]2[CH2:49][CH2:50][N:51]([CH2:54][CH2:55][S:56](=[O:57])(=[O:58])[CH3:59])[CH2:52][CH2:53]2)[cH:40][c:41]([O:45][CH2:46][CH3:47])[c:42]([NH2:44])[cH:43]1.[CH3:71][O-:72].[CH3:80][OH:81].[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][CH2:35][CH3:36])[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.[F:74][CH2:75][C:76]([F:77])([F:78])[OH:79].[Na+:73].[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:44][c:42]2[c:41]([O:45][CH2:46][CH3:47])[cH:40][c:39]([N:48]3[CH2:49][CH2:50][N:51]([CH2:54][CH2:55][S:56](=[O:57])(=[O:58])[CH3:59])[CH2:52][CH2:53]3)[c:38]([CH3:37])[cH:43]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][CH2:35][CH3:36])[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

8

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 6101p-Toluenesulfonic acidHCID 185647Ethanol, trifluoro-HCID 3826051MethoxideHCID 594527225-Methyl-2-(ethyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}anilineHCID 594529415-[3-(2-chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(ethyloxy)benzamide

Product 1

HCID 59452648N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(2-(ethyloxy)-5-methyl-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide

Sources & evidence

ORD record
ord-04aa43ded56542c5a3fc759154ed1bce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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