Dichloromethane → Trifluoroacetic acid

HRID 2349221Notes

Reaction equation

HRID 2349221 reaction equation
[Br:36][CH2:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44].[C:45]([CH3:46])([CH3:47])([CH3:48])[O:49][C:50]([CH2:51][N:52]1[CH2:53][CH2:54][CH:55]([c:58]2[cH:59][c:60]([C:74]3=[CH:75][CH2:76][CH2:77][CH2:78][CH2:79]3)[c:61]([NH:64][C:65](=[O:66])[c:67]3[nH:68][cH:69][c:70]([C:72]#[N:73])[n:71]3)[cH:62][cH:63]2)[CH2:56][CH2:57]1)=[O:80].[C:8]1([c:9]2[cH:10][c:11]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:18][cH:19][c:20]2[NH:21][C:22]([c:23]2[nH:24][cH:25][c:26]([C:27]#[N:28])[n:29]2)=[O:30])=[CH:35][CH2:34][CH2:33][CH2:32][CH2:31]1.[Cl:81][CH2:82][Cl:83].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:49]=[C:50]([CH2:51][N:52]1[CH2:53][CH2:54][CH:55]([c:58]2[cH:59][c:60]([C:74]3=[CH:75][CH2:76][CH2:77][CH2:78][CH2:79]3)[c:61]([NH:64][C:65](=[O:66])[c:67]3[nH:68][cH:69][c:70]([C:72]#[N:73])[n:71]3)[cH:62][cH:63]2)[CH2:56][CH2:57]1)[OH:80]

Participants

7

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 79177tert-Butyl bromoacetateHCID 178451204HCID 178451204, compoundHCID 178510382HCID 178510382, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178510396HCID 178510396, compound

Sources & evidence

ORD record
ord-2f7cc82ea77e47a5ba5a72a8e7e7a550
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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