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

HRID 1112945Notes

Reaction equation

HRID 1112945 reaction equation
[CH3:36][c:37]1[c:38]([N:46]2[CH2:47][CH2:48][N:49]([S:52](=[O:53])(=[O:54])[CH3:55])[CH2:50][CH2:51]2)[cH:39][c:40]([O:44][CH3:45])[c:41]([NH2:42])[cH:43]1.[CH3:74][OH:75].[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:76][CH2:77][Cl:78].[F:67][CH2:68][C:69]([F:70])([F:71])[OH:72].[NH3:73].[c:56]1([CH3:57])[cH:58][cH:59][c:60]([S:61]([OH:62])(=[O:63])=[O:64])[cH:65][cH:66]1>>[c:2]1([NH:42][c:41]2[c:40]([O:44][CH3:45])[cH:39][c:38]([N:46]3[CH2:47][CH2:48][N:49]([S:52](=[O:53])(=[O:54])[CH3:55])[CH2:50][CH2:51]3)[c:37]([CH3:36])[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][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 222AmmoniaHCID 887MethanolHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 185647Ethanol, trifluoro-HCID 594525905-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamideHCID 594527885-Methyl-2-(methyloxy)-4-[4-(methylsulfonyl)-1-piperazinyl]aniline

Product 1

HCID 59453006N-(2,6-difluorophenyl)-5-{3-[2-({5-methyl-2-(methyloxy)-4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}-2-(methyloxy)benzamide

Sources & evidence

ORD record
ord-0b59e441c0534c359e40850c18d67109
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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