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

HRID 167608
Notes
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Reaction equation

HRID 167608 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][nH:5][c:6]2[n:7][cH:8][cH:9][c:10]([O:12][c:13]3[c:14]([F:20])[cH:15][c:16]([NH2:17])[cH:18][cH:19]3)[c:11]12.[Cl:22][c:23]1[n:24][c:25]([NH2:33])[n:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1.[ClH:21].[Na+:35].[OH-:34].[OH2:36]>>[CH2:1]([CH3:2])[c:3]1[cH:4][nH:5][c:6]2[n:7][cH:8][cH:9][c:10]([O:12][c:13]3[c:14]([F:20])[cH:15][c:16]([NH:17][c:23]4[n:24][c:25]([NH2:33])[n:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]4)[cH:18][cH:19]3)[c:11]12
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 130869074-Chloro-6-(trifluoromethyl)pyrimidin-2-amineHCID 597410004-[(3-Ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluoroaniline

Product 1

HCID 11502907
N4-{4-[(3-Ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-39c49485a7bb485ba73cb8fb8dfbbdba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes