Trifluoroacetic acid → Trifluoroacetic acid

HRID 2125166Notes

Reaction equation

HRID 2125166 reaction equation
[Cl:48][c:49]1[n:50][c:51]2[c:52]([n:53][cH:54][n:55]2[CH:56]2[CH2:57][CH:58]([NH:59][C:60](=[O:61])[CH2:62][CH3:63])[CH:64]([OH:65])[CH:66]2[OH:67])[c:68]([NH:69][CH2:71][c:72]2[cH:73][cH:74][cH:75][c:76]3[cH:77][cH:78][cH:79][cH:80][c:81]23)[n:70]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47].[NH2:8][CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:35][CH:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:34])[CH:25]([OH:33])[CH:26]([NH:28][C:29]([CH2:30][CH3:31])=[O:32])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:35][CH2:71][c:72]3[cH:73][cH:74][cH:75][c:76]4[cH:77][cH:78][cH:79][cH:80][c:81]34)[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:34])[CH:25]([OH:33])[CH:26]([NH:28][C:29]([CH2:30][CH3:31])=[O:32])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acid2×HCID 72986859HCID 72986859, compoundHCID 178460073HCID 178460073, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178460039HCID 178460039, compound

Sources & evidence

ORD record
ord-869c989f9b6e4ad1b02a83f929d86e97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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