Trifluoroacetic acid → HCID 59548431, compound

HRID 167609Notes

Reaction equation

HRID 167609 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[cH:17][c:18]([CH2:31][N:32]4[CH2:33][CH2:34][N:35]([S:38](=[O:39])(=[O:40])[N:41]([CH3:42])[CH3:43])[CH2:36][CH2:37]4)[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:49][CH3:50])[cH:51][cH:52]2)[cH:53][cH:54]1.[OH:55][C:56]([C:57]([F:58])([F:59])[F:60])=[O:61].[OH:62][S:63]([C:64]([F:65])([F:66])[F:67])(=[O:68])=[O:69]>>[NH2:8][c:9]1[n:10][c:11](-[c:16]2[cH:17][c:18]([CH2:31][N:32]3[CH2:33][CH2:34][N:35]([S:38](=[O:39])(=[O:40])[N:41]([CH3:42])[CH3:43])[CH2:36][CH2:37]3)[cH:19][n:20][c:21]2[NH:22][c:23]2[cH:24][n:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[n:12][c:13]([CH3:15])[n:14]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 62406Trifluoromethanesulfonic acidHCID 59548187HCID 59548187, compound

Product 1

HCID 59548431HCID 59548431, compound

Sources & evidence

ORD record
ord-536702449388467391d52734899e9197
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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