Hydrochloric Acid → 5-(3-{2-[(3-{[2-(Dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}imidazo-[1,2-a]pyridin-2-yl)-2-(methyloxy)benzonitrile

HRID 197543

Reaction equation

HRID 197543 reaction equation
[CH3:29][N:30]([CH2:31][CH2:32][O:33][c:34]1[cH:35][c:36]([NH2:37])[cH:38][cH:39][cH:40]1)[CH3:41].[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:25][CH3:26])[c:21]([C:22]#[N:23])[cH:24]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:27].[ClH:28].[ClH:42].[F:48][CH2:49][C:50]([F:51])([F:52])[OH:53].[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[c:2]1([NH:37][c:36]2[cH:35][c:34]([O:33][CH2:32][CH2:31][N:30]([CH3:29])[CH3:41])[cH:40][cH:39][cH:38]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:25][CH3:26])[c:21]([C:22]#[N:23])[cH:24]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 185647Ethanol, trifluoro-HCID 167782053-[2-(Dimethylamino)ethoxy]anilineHCID 594527785-[3-(2-Chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)-benzonitrile

Product 1

HCID 594528045-(3-{2-[(3-{[2-(Dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}imidazo-[1,2-a]pyridin-2-yl)-2-(methyloxy)benzonitrile

Sources & evidence

ORD record
ord-5b3636a4b1eb4f3a8c4fe105ce28d36c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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