Hydrochloric Acid → HCID 59278115, compound

HRID 1127418Notes

Reaction equation

HRID 1127418 reaction equation
[C:67](=[O:68])([OH:69])[O-:70].[CH3:54][S:55](=[O:56])(=[O:57])[c:58]1[n:59][cH:60][cH:61][c:62]([CH:64]([CH3:65])[NH2:66])[cH:63]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:53].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[c:12]2[cH:13][n:14][cH:15][c:16]3[C:17](=[O:18])[OH:19])[cH:6][cH:7]1.[Na+:71].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[c:12]2[cH:13][n:14][cH:15][c:16]3[C:17](=[O:19])[NH:66][CH:64]([c:62]2[cH:61][cH:60][n:59][c:58]([S:55]([CH3:54])(=[O:56])=[O:57])[cH:63]2)[CH3:65])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592781371-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acidHCID 686537921-(2-Methylsulfonyl-4-pyridinyl)ethanamine

Product 1

HCID 59278115HCID 59278115, compound

Sources & evidence

ORD record
ord-855745df03614211aaebb3b84b38c6a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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