Hydrochloric Acid → N-(2,6-difluorophenyl)-3-{3-[2-({2-(ethyloxy)-4-[4-(1-methylethyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide

HRID 1540785Notes

Reaction equation

HRID 1540785 reaction equation
[CH2:34]([CH3:35])[O:36][c:37]1[c:38]([NH2:52])[cH:39][cH:40][c:41]([N:43]2[CH2:44][CH2:45][N:46]([CH:49]([CH3:50])[CH3:51])[CH2:47][CH2:48]2)[cH:42]1.[CH3:60][O-:61].[CH3:69][OH:70].[CH3:74][CH2:75][CH2:76][CH2:77][CH2:78][CH3:79].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][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].[ClH:53].[Na+:62].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH:63][CH2:64][C:65]([F:66])([F:67])[F:68]>>[c:2]1([NH:52][c:38]2[c:37]([O:36][CH2:34][CH3:35])[cH:42][c:41]([N:43]3[CH2:44][CH2:45][N:46]([CH:49]([CH3:50])[CH3:51])[CH2:47][CH2:48]3)[cH:40][cH:39]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][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 59452785(2-(Ethyloxy)-4-[4-(1-methylethyl)-1-piperazinyl]phenyl}amineHCID 594529693-[3-(2-chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-benzamide

Product 1

HCID 59452822N-(2,6-difluorophenyl)-3-{3-[2-({2-(ethyloxy)-4-[4-(1-methylethyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide

Sources & evidence

ORD record
ord-b5fee5c1adcd4a4f92c27d9eedc7d15c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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