Trifluoroacetic acid → HCID 178474408, compound

HRID 176741Notes

Reaction equation

HRID 176741 reaction equation
[C:8]([CH3:9])(=[O:10])[NH:11][c:12]1[s:13][c:14]2[c:15]([n:16]1)[c:17]([O:21][c:22]1[cH:23][c:24](-[c:28]3[c:29]([NH:38][C:39](=[O:40])[CH:41]4[NH:42][CH2:43][CH2:44]4)[cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]3)[n:25][cH:26][n:27]1)[cH:18][cH:19][cH:20]2.[CH:45]([CH:46]([CH3:47])[CH3:48])=[O:49].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[C:8]([CH3:9])(=[O:10])[NH:11][c:12]1[s:13][c:14]2[c:15]([n:16]1)[c:17]([O:21][c:22]1[cH:23][c:24](-[c:28]3[c:29]([NH:38][C:39](=[O:40])[CH:41]4[N:42]([CH2:45][CH:46]([CH3:47])[CH3:48])[CH2:43][CH2:44]4)[cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]3)[n:25][cH:26][n:27]1)[cH:18][cH:19][cH:20]2

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 6561IsobutyraldehydeHCID 72393464HCID 72393464, compound

Product 1

HCID 178474408HCID 178474408, compound

Sources & evidence

ORD record
ord-82ad96503b204755a3c7c6842f1ba05f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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