Trifluoroacetic acid → 2-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide

HRID 1572253Notes

Reaction equation

HRID 1572253 reaction equation
[Cl:12][c:13]1[n:14][c:15]([Cl:32])[c:16]2[c:17]([n:18]1)[n:19]([S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]1)[cH:20][cH:21]2.[F:40][CH2:41][C:42]([F:43])([F:44])[OH:45].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH2:6])[c:7]([F:11])[cH:8][cH:9][cH:10]1.[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH2:6])[c:7]([F:11])[cH:8][cH:9][cH:10]1)[c:15]1[n:14][c:13]([Cl:12])[n:18][c:17]2[c:16]1[cH:21][cH:20][n:19]2[S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 185647Ethanol, trifluoro-HCID 27789392-Amino-6-fluorobenzamideHCID 534868282,4-dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 866441882-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide

Sources & evidence

ORD record
ord-68bdabe9df4543c7ba1be29b466882df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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