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Hydrochloric Acid → N4-{3-Fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}-6-(4-fluorophenyl)pyrimidine-2,4-diamine

HRID 97500
Notes
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Reaction equation

HRID 97500 reaction equation
[Cl:20][c:21]1[n:22][c:23]([NH2:34])[n:24][c:25](-[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:26]1.[ClH:35].[F:1][c:2]1[cH:3][c:4]([NH2:19])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[nH:15][cH:16][c:17]2[CH3:18].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:42]>>[F:1][c:2]1[cH:3][c:4]([NH:19][c:21]2[n:22][c:23]([NH2:34])[n:24][c:25](-[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[cH:26]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[nH:15][cH:16][c:17]2[CH3:18]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium Ion2×HCID 962WaterHCID 19660Carbonate IonHCID 112183534-Chloro-6-(4-fluorophenyl)pyrimidin-2-amineHCID 179793083-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline

Product 1

HCID 58733320
N4-{3-Fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}-6-(4-fluorophenyl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-2b2f4433544c4a39897df553293ca448
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes