Dichloromethane → Trifluoroacetic acid

HRID 1118626Notes

Reaction equation

HRID 1118626 reaction equation
[CH3:38][S:39](=[O:40])(=[O:41])[CH2:42][CH2:43][O:44][S:45]([CH3:46])(=[O:47])=[O:48].[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:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl:58][CH2:59][Cl:60].[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]([CH2:43][CH2:42][S:39]([CH3:38])(=[O:40])=[O:41])[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 184645972-(Methylsulfonyl)ethyl methanesulfonateHCID 178424633HCID 178424633, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178424642HCID 178424642, compound

Sources & evidence

ORD record
ord-35d8a93e643c42738f1ebaca8ea32b0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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