Bicarbonate Ion → HCID 11515898, compound

HRID 320397Notes

Reaction equation

HRID 320397 reaction equation
[C:68](=[O:69])([OH:70])[O-:71].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[F:16][C:17]([c:18]1[cH:19][c:20]([NH2:21])[cH:22][cH:23][cH:24]1)([F:25])[F:26].[NH2:1][c:2]1[c:3]([C:7]2=[N:11][CH2:10][CH2:9][N:8]2[CH2:12][C:13](=[O:14])[OH:15])[n:4][o:5][n:6]1.[Na+:72].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][P+:36]([N:37]([CH3:38])[CH3:39])([N:40]([CH3:41])[CH3:42])[N:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[NH2:1][c:2]1[c:3]([C:7]2=[N:11][CH2:10][CH2:9][N:8]2[CH2:12][C:13](=[O:15])[NH:21][c:20]2[cH:19][c:18]([C:17]([F:16])([F:25])[F:26])[cH:24][cH:23][cH:22]2)[n:4][o:5][n:6]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 73753-(Trifluoromethyl)anilineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 21071287HCID 21071287, compound

Product 1

HCID 11515898HCID 11515898, compound

Sources & evidence

ORD record
ord-3329bd50787748cf8ce8a3680bb89dbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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