Hydrochloric Acid → HCID 44178168, compound

HRID 676912Notes

Reaction equation

HRID 676912 reaction equation
[C:71](=[O:72])([OH:73])[O-:74].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[ClH:48].[ClH:49].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][c:10]3[c:11]([nH:12][c:13]4[cH:14][cH:15][c:16]([C:19](=[O:20])[OH:21])[cH:17][c:18]34)[CH2:22][CH2:23]2)[cH:6][cH:7]1.[Na+:75].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[n:50]1[cH:51][c:52]([CH2:56][N:57]2[CH2:58][CH2:59][CH:60]([NH2:63])[CH2:61][CH2:62]2)[cH:53][cH:54][cH:55]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][c:10]3[c:11]([nH:12][c:13]4[cH:14][cH:15][c:16]([C:19](=[O:21])[NH:63][CH:60]5[CH2:59][CH2:58][N:57]([CH2:56][c:52]6[cH:51][n:50][cH:55][cH:54][cH:53]6)[CH2:62][CH2:61]5)[cH:17][c:18]34)[CH2:22][CH2:23]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 64842041-(pyridin-3-ylmethyl)piperidin-4-amineHCID 57750062HCID 57750062, compound

Product 1

HCID 44178168HCID 44178168, compound

Sources & evidence

ORD record
ord-c88f580758e54f60bcf0a30bb95b9c29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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