Bicarbonate Ion → HCID 67008604, compound

HRID 694816Notes

Reaction equation

HRID 694816 reaction equation
[C:45](=[O:46])([O-:47])[OH:48].[CH3:57][C:58]#[N:59].[F:1][c:2]1[cH:3][c:4](-[c:37]2[c:38]([C:43]#[N:44])[cH:39][cH:40][cH:41][cH:42]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:36])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH2:28][C:29]3([CH:33]([CH3:34])[OH:35])[CH2:30][CH2:31][CH2:32]3)[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+:49].[Na+:55].[Na+:56].[S:50]([O-:51])([O-:52])(=[O:53])=[S:54]>>[F:1][c:2]1[cH:3][c:4](-[c:37]2[c:38]([C:43]#[N:44])[cH:39][cH:40][cH:41][cH:42]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:36])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH2:28][C:29]3([C:33]([CH3:34])=[O:35])[CH2:30][CH2:31][CH2:32]3)[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 67009389HCID 67009389, compound

Product 1

HCID 67008604HCID 67008604, compound

Sources & evidence

ORD record
ord-8733c326458749eaa68ee58fefcbf224
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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