Trifluoroacetic acid → HCID 68838555, compound

HRID 2128692Notes

Reaction equation

HRID 2128692 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:7]([N:10]2[CH2:11][C:12](=[O:23])[N:13]([CH2:17][CH2:18][Si:19]([CH3:20])([CH3:21])[CH3:22])[S:14]2(=[O:15])=[O:16])[cH:8][cH:9]1.[O:46]=[C:47]=[N:48][CH:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][c:6]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:7]([N:10]2[CH2:11][C:12](=[O:23])[N:13]([CH2:17][CH2:18][Si:19]([CH3:20])([CH3:21])[CH3:22])[S:14]2(=[O:15])=[O:16])[cH:8][cH:9]1)[C:47](=[O:46])[NH:48][CH:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1

Participants

6

Reactant 5

HCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 18502Cyclohexyl isocyanateHCID 312751,4-DioxaneHCID 667572325-[4-(2-Aminoethyl)-2-phenylmethoxyphenyl]-1,1-dioxo-2-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-3-one

Product 1

HCID 68838555HCID 68838555, compound

Sources & evidence

ORD record
ord-fbe2bab36dd94a6ca57f4d6999904949
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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