Hydrochloric Acid → Trifluoroacetic acid

HRID 168197Notes

Reaction equation

HRID 168197 reaction equation
[CH3:47][NH:48][CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:57][CH2:58][Cl:59].[Cl:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][C:17](=[O:43])[N:18]([CH2:29][c:30]3[cH:31][cH:32][c:33]([O:36][CH:37]4[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]4)[cH:34][cH:35]3)[c:19]3[c:20]([cH:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[cH:25]3)[CH2:21]2)[cH:44][cH:45]1.[ClH:46].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][C:17](=[O:43])[N:18]([CH2:29][c:30]3[cH:31][cH:32][c:33]([O:36][CH:37]4[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]4)[cH:34][cH:35]3)[c:19]3[c:20]([cH:22][cH:23][c:24]([C:26](=[O:28])[N:48]([CH3:47])[CH3:49])[cH:25]3)[CH2:21]2)[cH:44][cH:45]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 22632433HCID 22632433, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 59103915HCID 59103915, compound

Sources & evidence

ORD record
ord-945a0f424a0f4d598724e383dda69cf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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