Hydrochloric Acid → N-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[2-(methyloxy)-4-(4-propyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HRID 209768Notes

Reaction equation

HRID 209768 reaction equation
[CH3:37][O:38][c:39]1[c:40]([NH2:54])[cH:41][cH:42][c:43]([N:45]2[CH2:46][CH2:47][N:48]([CH2:51][CH2:52][CH3:53])[CH2:49][CH2:50]2)[cH:44]1.[CH3:62][O-:63].[CH3:71][OH:72].[CH3:76][CH2:77][CH2:78][CH2:79][CH2:80][CH3:81].[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.[Cl:73][CH2:74][Cl:75].[ClH:55].[Na+:64].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH:65][CH2:66][C:67]([F:68])([F:69])[F:70]>>[c:2]1([NH:54][c:40]2[c:39]([O:38][CH3:37])[cH:44][c:43]([N:45]3[CH2:46][CH2:47][N:48]([CH2:51][CH2:52][CH3:53])[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][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

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 64092,2,2-TrifluoroethanolHCID 8058HexaneHCID 312751,4-DioxaneHCID 3826051MethoxideHCID 594529415-[3-(2-chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(ethyloxy)benzamideHCID 598602822-(Methyloxy)-4-(4-propyl-1-piperazinyl)aniline

Product 1

HCID 59452957N-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[2-(methyloxy)-4-(4-propyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

Sources & evidence

ORD record
ord-4d9fac798c494087a170979480af25d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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