Bicarbonate Ion → HCID 86644049, compound

HRID 170263Notes

Reaction equation

HRID 170263 reaction equation
[C:43](=[O:44])([O-:45])[OH:46].[CH3:55][C:56]#[N:57].[F:1][c:2]1[cH:3][c:4](-[c:35]2[c:36]([C:41]#[N:42])[cH:37][cH:38][cH:39][cH:40]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:34])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([CH:29]([CH2:30][F:31])[OH:32])[CH3:33])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[Na+:47].[Na+:53].[Na+:54].[S:48]([O-:49])([O-:50])(=[O:51])=[S:52]>>[F:1][c:2]1[cH:3][c:4](-[c:35]2[c:36]([C:41]#[N:42])[cH:37][cH:38][cH:39][cH:40]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:34])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([C:29]3([CH2:30][F:31])[O:32][CH2:43]3)[CH3:33])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 67008589HCID 67008589, compound

Product 1

HCID 86644049HCID 86644049, compound

Sources & evidence

ORD record
ord-dc3e15f2ad0844739096d788dfea94b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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