Dichloromethane → Trifluoroacetic acid

HRID 309585Notes

Reaction equation

HRID 309585 reaction equation
[C:38]1([c:39]2[cH:40][c:41]([CH:42]3[CH2:43][CH2:44][N:45]([CH2:56][CH2:57][S:58](=[O:59])(=[O:60])[CH3:61])[CH2:46][CH2:47]3)[cH:48][cH:49][c:50]2[NH:51][C:52]([c:53]2[nH:54][cH:55][c:62]([C:63]#[N:64])[n:65]2)=[O:66])=[CH:71][CH2:70][CH2:69][CH2:68][CH2:67]1.[CH3:8][C:9]1([CH3:37])[CH2:10][CH:11]=[C:12]([c:15]2[c:16]([NH:27][C:28](=[O:29])[c:30]3[nH:31][cH:32][c:33]([C:35]#[N:36])[n:34]3)[cH:17][cH:18][c:19]([CH:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[n:20]2)[CH2:13][CH2:14]1.[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[Cl:81][CH2:82][Cl:83].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[CH3:8][C:9]1([CH3:37])[CH2:10][CH:11]=[C:12]([c:15]2[c:16]([NH:27][C:28](=[O:29])[c:30]3[nH:31][cH:32][c:33]([C:35]#[N:36])[n:34]3)[cH:17][cH:18][c:19]([CH:21]3[CH2:22][CH2:23][N:24]([CH2:56][CH2:57][S:58](=[O:59])(=[O:60])[CH3:61])[CH2:25][CH2:26]3)[n:20]2)[CH2:13][CH2:14]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

7

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 178424633HCID 178424633, compoundHCID 178504885HCID 178504885, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178424642HCID 178424642, compound

Sources & evidence

ORD record
ord-1c6b2da855bf4b17beb7fa2fce57787b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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