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

HRID 1136029Notes

Reaction equation

HRID 1136029 reaction equation
[CH3:36][O:37][c:38]1[c:39]([NH2:40])[cH:41][cH:42][c:43]([N:45]2[CH2:46][CH2:47][N:48]([CH2:51][CH2:52][S:53](=[O:54])(=[O:55])[CH3:56])[CH2:49][CH2:50]2)[cH:44]1.[CH3:68][O-:69].[CH:74]([OH:75])([CH3:76])[CH3:77].[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:71][CH2:72][Cl:73].[Na+:70].[c:57]1([CH3:58])[cH:59][cH:60][c:61]([S:62]([OH:63])(=[O:64])=[O:65])[cH:66][cH:67]1>>[c:2]1([NH:40][c:39]2[c:38]([O:37][CH3:36])[cH:44][c:43]([N:45]3[CH2:46][CH2:47][N:48]([CH2:51][CH2:52][S:53](=[O:54])(=[O:55])[CH3:56])[CH2:49][CH2:50]3)[cH:42][cH:41]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

8

Reactant 7

HCID 923Sodium ionHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 3826051MethoxideHCID 594525905-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamideHCID 666497312-(Methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}aniline

Product 1

HCID 59452646N-(2,6-difluorophenyl)-2-(methyloxy)-5-(3-{2-[(2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl]phenyl)amino}-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide

Sources & evidence

ORD record
ord-a8a9e66e25984c0e8f6f77b048813185
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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