Trifluoroacetic acid → HCID 178482072, compound

HRID 90023Notes

Reaction equation

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

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 671845852,5-difluoro-N-(3-{1-(4-methoxybenzyl)-4-[2-(methylamino)-pyridin-4-yl]-1H-pyrazol-3-yl}phenyl)benzenesulfonamide

Product 1

HCID 178482072HCID 178482072, compound

Sources & evidence

ORD record: ord-383d138382674dcb850c6376e75f9db9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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