Hydrochloric Acid → 4-(4-{[2-Amino-6-(trifluoromethyl)pyrimidin-4-yl]amino}-2-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

HRID 114137Notes

Reaction equation

HRID 114137 reaction equation
[CH3:37][OH:38].[CH3:39][CH2:40][OH:41].[Cl:21][c:22]1[n:23][c:24]([NH2:32])[n:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1.[ClH:33].[NH2:1][c:2]1[cH:3][c:4]([F:20])[c:5]([CH2:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[nH:13][cH:14][c:15]3[C:16]#[N:17])[cH:18][cH:19]1.[Na+:35].[OH-:34].[OH2:36]>>[NH:1]([c:2]1[cH:3][c:4]([F:20])[c:5]([CH2:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[nH:13][cH:14][c:15]3[C:16]#[N:17])[cH:18][cH:19]1)[c:22]1[n:23][c:24]([NH2:32])[n:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 130869074-Chloro-6-(trifluoromethyl)pyrimidin-2-amineHCID 593049784-(4-Amino-2-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Product 1

HCID 593049964-(4-{[2-Amino-6-(trifluoromethyl)pyrimidin-4-yl]amino}-2-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Sources & evidence

ORD record
ord-85ce71fef21c44ad8dac6eec020872f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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