Trifluoroacetic acid → HCID 49763806, compound

HRID 692523Notes

Reaction equation

HRID 692523 reaction equation
[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[F:37][C:38]([c:39]1[cH:40][c:41]([C:42](=[O:43])[NH:44][CH2:45][C:46](=[O:47])[OH:48])[cH:49][cH:50][cH:51]1)([F:52])[F:53].[NH2:12][c:13]1[cH:14][cH:15][c:16]([CH:19]2[CH2:20][CH2:21][CH:22]([N:25]3[CH2:26][CH:27]([NH2:29])[CH2:28]3)[CH2:23][CH2:24]2)[cH:17][cH:18]1>>[NH2:12][c:13]1[cH:14][cH:15][c:16]([CH:19]2[CH2:20][CH2:21][CH:22]([N:25]3[CH2:26][CH:27]([NH:29][C:46]([CH2:45][NH:44][C:42]([c:41]4[cH:40][c:39]([C:38]([F:37])([F:52])[F:53])[cH:51][cH:50][cH:49]4)=[O:43])=[O:47])[CH2:28]3)[CH2:23][CH2:24]2)[cH:17][cH:18]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2777432((3-(Trifluoromethyl)benzoyl)amino)acetic acidHCID 59541965HCID 59541965, compound

Product 1

HCID 49763806HCID 49763806, compound

Sources & evidence

ORD record
ord-4869ab4c431b4ad895804ada77e75e0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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