Bicarbonate Ion → HCID 68561280, compound

HRID 1563142Notes

Reaction equation

HRID 1563142 reaction equation
[CH3:42][O:43][c:44]1[cH:45][c:46]([NH:50][c:51]2[n:52][c:53]([N:60]3[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]3)[n:54][c:55]([N:57]([CH3:58])[CH3:59])[cH:56]2)[cH:47][cH:48][cH:49]1.[CH:9]([N:10]([CH2:11][CH3:12])[CH:13]([CH3:14])[CH3:15])([CH3:16])[CH3:17].[Na+:70].[O-:66][C:67]([OH:68])=[O:69].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[s:1]1[c:2]([C:6](=[O:7])[OH:8])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([C:6](=[O:8])[N:63]2[CH2:62][CH2:61][N:60]([c:53]3[n:52][c:51]([NH:50][c:46]4[cH:45][c:44]([O:43][CH3:42])[cH:49][cH:48][cH:47]4)[cH:56][c:55]([N:57]([CH3:58])[CH3:59])[n:54]3)[CH2:65][CH2:64]2)[cH:3][cH:4][cH:5]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 107002-Thiophenecarboxylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68563369HCID 68563369, compound

Product 1

HCID 68561280HCID 68561280, compound

Sources & evidence

ORD record
ord-2e62a31de8aa47dca49322bed7272a14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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