Sodium ion → benzyl 6-[bis[[1-(dimethylsulfamoyl)imidazol-2-yl]methyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

HRID 1204287Notes

Reaction equation

HRID 1204287 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:21](=[O:22])[OH:23])[cH:17][c:18]2[CH2:19][CH2:20]1.[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:84][CH2:85][Cl:86].[F:33][P-:34]([F:35])([F:36])([F:37])([F:38])[F:39].[NH:57]([CH2:58][c:59]1[n:60]([S:64](=[O:65])(=[O:66])[N:67]([CH3:68])[CH3:69])[cH:61][cH:62][n:63]1)[CH2:70][c:71]1[n:72]([S:76](=[O:77])(=[O:78])[N:79]([CH3:80])[CH3:81])[cH:73][cH:74][n:75]1.[Na+:83].[OH-:82].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:21](=[O:23])[N:57]([CH2:58][c:59]3[n:60]([S:64](=[O:65])(=[O:66])[N:67]([CH3:68])[CH3:69])[cH:61][cH:62][n:63]3)[CH2:70][c:71]3[n:72]([S:76](=[O:77])(=[O:78])[N:79]([CH3:80])[CH3:81])[cH:73][cH:74][n:75]3)[cH:17][c:18]2[CH2:19][CH2:20]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58399186HCID 58399186, compoundHCID 672857942,2'-[iminobis(methylene)]bis(N,N-dimethyl-1H-imidazole-1-sulfonamide)

Product 1

HCID 67501556benzyl 6-[bis[[1-(dimethylsulfamoyl)imidazol-2-yl]methyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Sources & evidence

ORD record
ord-128ca35c43dd4e92bfc434ef8e92c479
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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