Trifluoroacetic acid → Trifluoroacetic acid

HRID 1216709Notes

Reaction equation

HRID 1216709 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[Cs+:49].[Cs+:50].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[I:51][CH2:52][CH2:53][O:54][CH2:55][CH2:56][I:57].[NH2:8][C:9]1([CH3:44])[CH2:10][CH:11]([c:36]2[c:37]([F:43])[cH:38][c:39]([F:42])[cH:40][cH:41]2)[CH:12]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][CH:19]([c:22]3[cH:23][c:24]([CH3:35])[n:25][n:26]3-[c:27]3[cH:28][c:29]([Cl:34])[c:30]([F:33])[cH:31][cH:32]3)[CH2:20][CH2:21]2)[CH2:13]1>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[N:8]1([C:9]2([CH3:44])[CH2:10][CH:11]([c:36]3[c:37]([F:43])[cH:38][c:39]([F:42])[cH:40][cH:41]3)[CH:12]([C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([c:22]4[cH:23][c:24]([CH3:35])[n:25][n:26]4-[c:27]4[cH:28][c:29]([Cl:34])[c:30]([F:33])[cH:31][cH:32]4)[CH2:20][CH2:21]3)[CH2:13]2)[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1

Participants

7

Reactant 5

HCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 34307792-Iodoethyl etherHCID 76193236HCID 76193236, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178422835HCID 178422835, compound

Sources & evidence

ORD record
ord-1ba76075c33746d384885a57a8ab3c5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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