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

HRID 297306
Notes
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Reaction equation

HRID 297306 reaction equation
[CH2:35]([OH:36])[CH3:37].[Cl:20][c:21]1[n:22][c:23]([NH2:31])[n:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[ClH:32].[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[nH:16][cH:17][c:18]2[Cl:19].[Na+:34].[OH-:33].[OH2:38]>>[F:1][c:2]1[cH:3][c:4]([NH:5][c:21]2[n:22][c:23]([NH2:31])[n:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[nH:16][cH:17][c:18]2[Cl:19]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 130869074-Chloro-6-(trifluoromethyl)pyrimidin-2-amineHCID 597410163-fluoro-4-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline

Product 1

HCID 11611897N4-{4-[(3-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-67ee0c709746489cb17a25990bb2346f
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