Bicarbonate Ion → HCID 178519780, compound

HRID 702522Notes

Reaction equation

HRID 702522 reaction equation
[CH3:54][O:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH3:9][O:10][c:11]1[cH:12][cH:13][c:14]([CH2:15][S:16][CH:17]2[CH2:18][CH:19]([C:35](=[O:36])[N:37]3[CH2:38][CH:39]([n:42]4[cH:43][n:44][cH:45][cH:46]4)[CH2:40][CH2:41]3)[N:20]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][c:29]([N+:32](=[O:33])[O-:34])[cH:30][cH:31]3)[CH2:21]2)[cH:47][cH:48]1.[Na+:49].[OH:1][S:2]([C:3]([F:4])([F:5])[F:6])(=[O:7])=[O:8].[OH:50][C:51](=[O:52])[O-:53].[OH:62][C:63]([C:64]([F:65])([F:66])[F:67])=[O:68]>>[SH:16][CH:17]1[CH2:18][CH:19]([C:35](=[O:36])[N:37]2[CH2:38][CH:39]([n:42]3[cH:43][n:44][cH:45][cH:46]3)[CH2:40][CH2:41]2)[N:20]([C:22](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([N+:32](=[O:33])[O-:34])[cH:30][cH:31]2)[CH2:21]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 8857Ethyl AcetateHCID 62406Trifluoromethanesulfonic acidHCID 178491663HCID 178491663, compound

Product 1

HCID 178519780HCID 178519780, compound

Sources & evidence

ORD record
ord-c1546e46079247f18be8cdc0317c017f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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