Hydrochloric Acid → Phenylmethyl 4-([4-({4-[2-(3-cyanophenyl)imidazo[1,2-a]pyridin-3-yl]-2-pyrimidinyl}amino)-3-methylphenyl]oxy}-1-piperidinecarboxylate

HRID 1145821Notes

Reaction equation

HRID 1145821 reaction equation
[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]#[N:21])[cH:22][cH:23][cH:24]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[Cl:62][CH2:63][Cl:64].[ClH:50].[F:56][CH2:57][C:58]([F:59])([F:60])[OH:61].[NH2:25][c:26]1[c:27]([CH3:49])[cH:28][c:29]([O:32][CH:33]2[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH2:37][CH2:38]2)[cH:30][cH:31]1.[Na+:55].[O-:51][C:52]([OH:53])=[O:54]>>[c:2]1([NH:25][c:26]2[c:27]([CH3:49])[cH:28][c:29]([O:32][CH:33]3[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][CH2:42][c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[CH2:37][CH2:38]3)[cH:30][cH:31]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20]#[N:21])[cH:22][cH: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

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 185647Ethanol, trifluoro-HCID 59452998Phenylmethyl 4-[(4-amino-3-methylphenyl)oxy]-1-piperidinecarboxylateHCID 866251873-[3-(2-Chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile

Product 1

HCID 66649613Phenylmethyl 4-([4-({4-[2-(3-cyanophenyl)imidazo[1,2-a]pyridin-3-yl]-2-pyrimidinyl}amino)-3-methylphenyl]oxy}-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-74c7df8a4ed14ee1b86b2ff610698dc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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