Chloride → 2-[[[4-(chloromethyl)phenyl]methyl-[[1-(dimethylsulfamoyl)imidazol-2-yl]methyl]amino]methyl]-N,N-dimethylimidazole-1-sulfonamide

HRID 683915Notes

Reaction equation

HRID 683915 reaction equation
[C:51](=[O:52])([O-:53])[OH:54].[CH3:44][S:45]([Cl:46])(=[O:47])=[O:48].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl-:50].[Li+:49].[Na+:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([CH2:9][c:10]2[n:11]([S:15](=[O:16])(=[O:17])[N:18]([CH3:19])[CH3:20])[cH:12][cH:13][n:14]2)[CH2:21][c:22]2[n:23]([S:27](=[O:28])(=[O:29])[N:30]([CH3:31])[CH3:32])[cH:24][cH:25][n:26]2)[cH:33][cH:34]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([CH2:9][c:10]2[n:11]([S:15](=[O:16])(=[O:17])[N:18]([CH3:19])[CH3:20])[cH:12][cH:13][n:14]2)[CH2:21][c:22]2[n:23]([S:27](=[O:28])(=[O:29])[N:30]([CH3:31])[CH3:32])[cH:24][cH:25][n:26]2)[cH:33][cH:34]1)[Cl:46]

Participants

9

Reactant 8

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 672861692-[[[1-(dimethylsulfamoyl)imidazol-2-yl]methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-N,N-dimethylimidazole-1-sulfonamide

Product 1

HCID 672853972-[[[4-(chloromethyl)phenyl]methyl-[[1-(dimethylsulfamoyl)imidazol-2-yl]methyl]amino]methyl]-N,N-dimethylimidazole-1-sulfonamide

Sources & evidence

ORD record
ord-d977697b46d040f5941577c20f3b259c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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