Hydrochloric Acid → 3-[[1-[[6-[2-(Acetylsulfamoyl)phenyl]-3-pyridinyl]methyl]-5-propylpyrazole-3-carbonyl]amino]-2-hydroxy-4-phenylbutanoic acid

HRID 97169Notes

Reaction equation

HRID 97169 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][S:5](=[O:6])(=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[n:22][c:23]([C:29]([OH:30])=[O:31])[cH:24][c:25]3[CH2:26][CH2:27][CH3:28])[cH:18][n:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[ClH:75].[NH2:61][CH:62]([CH:63]([C:64](=[O:65])[OH:66])[OH:67])[CH2:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1]([CH3:2])(=[O:3])[NH:4][S:5](=[O:6])(=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[n:22][c:23]([C:33](=[O:32])[NH:61][CH:62]([CH:63]([C:64](=[O:65])[OH:66])[OH:67])[CH2:68][c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:24][c:25]3[CH2:26][CH2:27][CH3:28])[cH:18][n:19]2)[cH:10][cH:11][cH:12][cH:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124913PhenylnorstatineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 667579101-[6-(2-Acetylsulfamoylphenyl)pyridin-3-ylmethyl]-5-propyl-1H-pyrazole-3-carboxylic Acid

Product 1

HCID 772274063-[[1-[[6-[2-(Acetylsulfamoyl)phenyl]-3-pyridinyl]methyl]-5-propylpyrazole-3-carbonyl]amino]-2-hydroxy-4-phenylbutanoic acid

Sources & evidence

ORD record
ord-0fc3cc8372684a6e988a2d603a4df7c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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