Hydrochloric Acid → HCID 44177406, compound

HRID 170418Notes

Reaction equation

HRID 170418 reaction equation
[C:73](=[O:74])([OH:75])[O-:76].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([nH:12][c:13]3[cH:14][cH:15][c:16]([C:19](=[O:20])[OH:21])[cH:17][c:18]23)[CH2:22][CH2:23]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:48].[ClH:49].[NH2:50][CH:51]1[CH2:52][CH2:53][N:54]([CH2:57][c:58]2[cH:59][cH:60][c:61]([C:64]#[N:65])[cH:62][cH:63]2)[CH2:55][CH2:56]1.[Na+:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[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>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([nH:12][c:13]3[cH:14][cH:15][c:16]([C:19](=[O:20])[NH:50][CH:51]4[CH2:52][CH2:53][N:54]([CH2:57][c:58]5[cH:59][cH:60][c:61]([C:64]#[N:65])[cH:62][cH:63]5)[CH2:55][CH2:56]4)[cH:17][c:18]23)[CH2:22][CH2:23]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 19960442HCID 19960442, compoundHCID 21231111HCID 21231111, compound

Product 1

HCID 44177406HCID 44177406, compound

Sources & evidence

ORD record
ord-b5899f59846f4ecca8234f71eb70b2fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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