Trifluoroacetic acid → HCID 58746658, compound

HRID 308813Notes

Reaction equation

HRID 308813 reaction equation
[C:39]([CH3:40])([CH3:41])([CH3:42])[N:43]=[C:44]=[O:45].[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[O:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([CH:31]3[CH2:32][C:33](=[O:38])[NH:34][S:35]3(=[O:36])=[O:37])[cH:29][cH:30]2)[cH:19][cH:20]1>>[O:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][N:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([CH:31]3[CH2:32][C:33](=[O:38])[NH:34][S:35]3(=[O:36])=[O:37])[cH:29][cH:30]2)[C:44]([NH:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[cH:19][cH:20]1

Participants

6

Reactant 5

HCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 62412tert-Butyl isocyanateHCID 81531DiisopropylethylamineHCID 21878752HCID 21878752, compound

Product 1

HCID 58746658HCID 58746658, compound

Sources & evidence

ORD record
ord-0e625def85ea44ca8c95c99caf3fd113
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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