Carbonate Ion → Trifluoromethanesulfonate

HRID 317453Notes

Reaction equation

HRID 317453 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:28][CH:29]1[CH2:30][NH:31][CH2:32][CH2:33][CH2:34]1.[Cs+:39].[Cs+:40].[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][n:19][c:20]4[n:21]3[cH:22][cH:23][cH:24][cH:25]4)[n:15][c:16]12)([F:26])[F:27].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][c:52]3[c:53]([cH:54][cH:55][cH:56][cH:57]3)[c:58]2-[c:59]2[c:60]3[c:61]([cH:62][cH:63][cH:64][cH:65]3)[cH:66][cH:67][c:68]2[P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[O-:6])([F:26])[F:27].[c:7]1([N:31]2[CH2:30][CH:29]([CH3:28])[CH2:34][CH2:33][CH2:32]2)[cH:8][cH:9][cH:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[n:18][n:19][c:20]4[n:21]3[cH:22][cH:23][cH:24][cH:25]4)[n:15][c:16]12

Participants

7

Reactant 5

HCID 19660Carbonate IonHCID 790813-MethylpiperidineHCID 104967Cesium cation2×HCID 634876Binap, (A+-)-HCID 866543542-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl trifluoromethanesulfonate

Product 2

HCID 2758875TrifluoromethanesulfonateHCID 461789032-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)-8-(3-methylpiperidin-1-yl)quinoline

Sources & evidence

ORD record
ord-683095a2f28e4bdd81363198822ecd60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…