Bicarbonate Ion → HCID 58158470, compound

HRID 692776Notes

Reaction equation

HRID 692776 reaction equation
[C:73](=[O:74])([O-:75])[OH:76].[CH3:78][N:79]([CH3:80])[C:81](=[O:82])[CH3:83].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[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+:77].[OH2:84].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[c:25]1([NH:31][C:32](=[O:33])[C:34]2([C:37](=[O:38])[OH:39])[CH2:35][CH2:36]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1.[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]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:37]([C:34]1([C:32]([NH:31][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:33])[CH2:35][CH2:36]1)=[O:38]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 9886HexafluorophosphateHCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 190968711-(Phenylcarbamoyl)cyclopropanecarboxylic acidHCID 58158605N-[6-(4-amino-2-fluorophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 58158470HCID 58158470, compound

Sources & evidence

ORD record
ord-e6432482ccb94f90b931ceea00051413
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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