Dimethylformamide → Trifluoromethanesulfonic acid

HRID 1123256Notes

Reaction equation

HRID 1123256 reaction equation
[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH:9]([N:10]([CH:11]([CH3:12])[CH3:13])[CH2:14][CH3:15])([CH3:16])[CH3:17].[S:18](=[O:19])(=[O:20])([C:21]([F:22])([F:23])[F:24])[OH:25].[S:26]([OH:27])([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33].[c:34]1([N:40]2[CH2:41][CH2:42][N:43]([c:46]3[n:47][c:48]([NH:55][CH:56]4[CH:57]([NH2:61])[CH2:58][CH2:59][CH2:60]4)[c:49]4[c:50]([n:51]3)[CH2:52][CH2:53][S:54]4)[CH2:44][CH2:45]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1.[o:1]1[n:2][cH:3][cH:4][c:5]1[C:6](=[O:7])[OH:8]>>[S:18](=[O:19])(=[O:20])([C:21]([F:22])([F:23])[F:24])[OH:25].[o:1]1[n:2][cH:3][cH:4][c:5]1[C:6](=[O:8])[NH:61][CH:57]1[CH:56]([NH:55][c:48]2[n:47][c:46]([N:43]3[CH2:42][CH2:41][N:40]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[CH2:45][CH2:44]3)[n:51][c:50]3[c:49]2[S:54][CH2:53][CH2:52]3)[CH2:60][CH2:59][CH2:58]1

Participants

7

Reactant 5

HCID 6228DimethylformamideHCID 62406Trifluoromethanesulfonic acid2×HCID 81531DiisopropylethylamineHCID 20605991,2-Oxazole-5-carboxylic acidHCID 57600113HCID 57600113, compound

Product 2

HCID 62406Trifluoromethanesulfonic acidHCID 178521847HCID 178521847, compound

Sources & evidence

ORD record
ord-9343990787cb4fe2897555b06355237a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…