Trifluoroacetic acid → HCID 59548320, compound

HRID 212413Notes

Reaction equation

HRID 212413 reaction equation
[F:55][C:56]([F:57])([F:58])[C:59]([OH:60])=[O:61].[N:1]1([CH2:5][c:6]2[cH:7][c:8](-[c:21]3[n:22][c:23]([N:28]([CH2:29][c:30]4[cH:31][cH:32][c:33]([O:34][CH3:35])[cH:36][cH:37]4)[CH2:38][c:39]4[cH:40][cH:41][c:42]([O:43][CH3:44])[cH:45][cH:46]4)[n:24][c:25]([CH3:27])[n:26]3)[c:9]([NH:12][c:13]3[cH:14][n:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[n:10][cH:11]2)[CH2:2][CH2:3][CH2:4]1.[OH:47][S:48]([C:49]([F:50])([F:51])[F:52])(=[O:53])=[O:54]>>[N:1]1([CH2:5][c:6]2[cH:7][c:8](-[c:21]3[n:22][c:23]([NH2:28])[n:24][c:25]([CH3:27])[n:26]3)[c:9]([NH:12][c:13]3[cH:14][n:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[n:10][cH:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 62406Trifluoromethanesulfonic acidHCID 66611155HCID 66611155, compound

Product 1

HCID 59548320HCID 59548320, compound

Sources & evidence

ORD record
ord-8ed026b34b8c4069959e30e8c428f658
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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