Bicarbonate Ion → HCID 57749102, compound

HRID 2128629Notes

Reaction equation

HRID 2128629 reaction equation
[C:68](=[O:69])([O-:70])[OH:71].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1.[Na+:72].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[c:24]1([C:30]#[C:31][C:32](=[O:33])[OH:34])[cH:25][cH:26][cH:27][cH:28][cH:29]1.[cH:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1.[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1)[C:32]([C:31]#[C:30][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:33]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 9886HexafluorophosphateHCID 69475Phenylpropiolic AcidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57749361N-[6-(3-aminophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 57749102HCID 57749102, compound

Sources & evidence

ORD record
ord-fa4f7d2a1bc74c2e8c165df67f3de1c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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