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Hydrochloric Acid → 1-[4-[4-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-6-(6-methanesulfonyl-pyridin-3-ylamino)-pyrimidin-5-yl]-ethanone

HRID 306113
Notes
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Reaction equation

HRID 306113 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH:23]([CH3:24])([CH3:25])[c:26]1[n:27][o:28][c:29]([CH:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[n:30]1.[CH:44]([N:45]([CH3:46])[CH3:47])=[O:48].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([NH:11][c:12]2[cH:13][n:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[c:7]1[C:8]([CH3:9])=[O:10].[ClH:22].[K+:41].[K+:42].[OH2:43]>>[c:2]1([N:34]2[CH2:33][CH2:32][CH:31]([c:29]3[o:28][n:27][c:26]([CH:23]([CH3:24])[CH3:25])[n:30]3)[CH2:36][CH2:35]2)[n:3][cH:4][n:5][c:6]([NH:11][c:12]2[cH:13][n:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[c:7]1[C:8]([CH3:9])=[O:10]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 242088454-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)piperidine
HCID 86597360
1-[4-Chloro-6-(6-methanesulfonyl-pyridin-3-ylamino)-pyrimidin-5-yl]-ethanone

Product 1

HCID 582163651-[4-[4-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-6-(6-methanesulfonyl-pyridin-3-ylamino)-pyrimidin-5-yl]-ethanone

Sources & evidence

ORD record
ord-f1c7d62260bb41bd9cfbeaef85abd604
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes