Bicarbonate Ion → HCID 136063688, compound

HRID 2344739Notes

Reaction equation

HRID 2344739 reaction equation
[C:43](=[O:44])([O-:45])[OH:46].[CH3:55][C:56]#[N:57].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][n:10]2[c:11]3[n:12]([c:13]([CH2:36][CH2:37][CH3:38])[c:14]([CH2:17][c:18]4[cH:19][cH:20][c:21](-[c:24]5[c:25](-[c:30]6[n:31][o:32][c:33](=[O:35])[nH:34]6)[cH:26][cH:27][cH:28][cH:29]5)[cH:22][cH:23]4)[c:15]2=[O:16])[n:39][cH:40][n:41]3)[OH:42])[cH:6][cH:7]1.[Na+:47].[Na+:53].[Na+:54].[S:48]([O-:49])([O-:50])(=[O:51])=[S:52]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][n:10]2[c:11]3[n:12]([c:13]([CH2:36][CH2:37][CH3:38])[c:14]([CH2:17][c:18]4[cH:19][cH:20][c:21](-[c:24]5[c:25](-[c:30]6[n:31][o:32][c:33](=[O:35])[nH:34]6)[cH:26][cH:27][cH:28][cH:29]5)[cH:22][cH:23]4)[c:15]2=[O:16])[n:39][cH:40][n:41]3)=[O:42])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 136063789HCID 136063789, compound

Product 1

HCID 136063688HCID 136063688, compound

Sources & evidence

ORD record
ord-e6437c325b1a427c96f1a9db8c9c90d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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