Trifluoroacetic acid → HCID 136394746, compound

HRID 2156394Notes

Reaction equation

HRID 2156394 reaction equation
[CH3:27][S:28][CH2:29][CH2:30][O:31][C:32](=[O:33])[NH:34][c:35]1[nH:36][c:37](=[O:48])[c:38]2[n:39][cH:40][n:41]([CH2:44][C:45](=[O:46])[OH:47])[c:42]2[n:43]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][NH:23][CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][N:23]([C:45]([CH2:44][n:41]3[cH:40][n:39][c:38]4[c:37](=[O:48])[nH:36][c:35]([NH:34][C:32]([O:31][CH2:30][CH2:29][S:28][CH3:27])=[O:33])[n:43][c:42]43)=[O:46])[CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 21868388HCID 21868388, compoundHCID 135616177HCID 135616177, compound

Product 1

HCID 136394746HCID 136394746, compound

Sources & evidence

ORD record
ord-3c1dbc026c9b46cfbc40258d6bf08cc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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