Hydrochloric Acid → HCID 59278356, compound

HRID 1565011Notes

Reaction equation

HRID 1565011 reaction equation
[B-:29]([F:30])([F:31])([F:32])[F:33].[C:66](=[O:67])([OH:68])[O-:69].[CH3:52][S:53](=[O:54])(=[O:55])[c:56]1[cH:57][cH:58][c:59]([CH:62]([CH2:63][CH3:64])[NH2:65])[cH:60][n:61]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:51].[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+:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]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:65][CH:62]([c:59]2[cH:58][cH:57][c:56]([S:53]([CH3:52])(=[O:54])=[O:55])[n:61][cH:60]2)[CH2:63][CH3:64])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 592781371-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acidHCID 68653362HCID 68653362, compound

Product 1

HCID 59278356HCID 59278356, compound

Sources & evidence

ORD record
ord-a8cc4ca9530f4def807e56373453e10e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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