Hydrochloric Acid → Hydrochloric Acid

HRID 1566190Notes

Reaction equation

HRID 1566190 reaction equation
[Br:1][c:2]1[c:3]([N:22]2[CH2:23][CH:24]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:25][CH2:26][CH2:27]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[c:14]([F:20])[cH:15][cH:16][c:17]([CH3:19])[cH:18]1)=[O:21].[Cl:44][CH2:45][Cl:46].[ClH:43].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[Br:1][c:2]1[c:3]([N:22]2[CH2:23][CH:24]([NH2:28])[CH2:25][CH2:26][CH2:27]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[c:14]([F:20])[cH:15][cH:16][c:17]([CH3:19])[cH:18]1)=[O:21].[ClH:43]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 60205492tert-butyl N-[1-[5-bromo-3-[(2-fluoro-5-methylbenzoyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 60205490N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-fluoro-5-methylbenzamide

Sources & evidence

ORD record
ord-b73b2779b05c4aa4b39650b3da549006
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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