Bicarbonate Ion → HCID 58158585, compound

HRID 289681Notes

Reaction equation

HRID 289681 reaction equation
[C:77](=[O:78])([O-:79])[OH:80].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[F:25][c:26]1[c:27]([CH3:43])[cH:28][c:29](-[n:32]2[c:33](=[O:42])[c:34]([C:39](=[O:40])[OH:41])[cH:35][cH:36][c:37]2[CH3:38])[cH:30][cH:31]1.[NH2:1][c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1.[Na+:81].[O:87]1[CH2:88][CH2:89][CH2:90][CH2:91]1.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[NH:1]([c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1)[C:39]([c:34]1[c:33](=[O:42])[n:32](-[c:29]2[cH:28][c:27]([CH3:43])[c:26]([F:25])[cH:31][cH:30]2)[c:37]([CH3:38])[cH:36][cH:35]1)=[O:40]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58158577HCID 58158577, compoundHCID 58158605N-[6-(4-amino-2-fluorophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 58158585HCID 58158585, compound

Sources & evidence

ORD record
ord-c6e7351435e04f0aa4d7b6692b63e44e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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