Hydrochloric Acid → Hydrochloric Acid

HRID 190824Notes

Reaction equation

HRID 190824 reaction equation
[Br:1][c:2]1[c:3]([N:23]2[CH2:24][CH:25]([NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:26][CH2:27][CH2:28]2)[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12]([c:13]1[cH:14][c:15]([F:21])[c:16]([O:19][CH3:20])[cH:17][cH:18]1)=[O:22].[Cl:45][CH2:46][Cl:47].[ClH:44].[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[Br:1][c:2]1[c:3]([N:23]2[CH2:24][CH:25]([NH2:29])[CH2:26][CH2:27][CH2:28]2)[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12]([c:13]1[cH:14][c:15]([F:21])[c:16]([O:19][CH3:20])[cH:17][cH:18]1)=[O:22].[ClH:44]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 60205473tert-butyl N-[1-[5-bromo-3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 60205471N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoro-4-methoxybenzamide

Sources & evidence

ORD record
ord-5dcdc27a976b4a98a75d029095d72dac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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