Hydrochloric Acid → N-(3-{3-[3-(2-chlorophenyl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

HRID 1218228Notes

Reaction equation

HRID 1218228 reaction equation
[C:55](=[O:56])([O-:57])[OH:58].[CH3:25][N:26]([CH3:27])[CH2:28][CH2:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH3:35].[CH3:37][C:38]1([c:44]2[cH:45][c:46]([NH:50][S:51](=[O:52])(=[O:53])[CH3:54])[cH:47][cH:48][cH:49]2)[CH:39]2[CH2:40][NH:41][CH2:42][CH:43]12.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:1][c:2]1[c:3]([CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:4][cH:5][cH:6][cH:7]1.[ClH:24].[ClH:36].[Na+:59].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[Cl:1][c:2]1[c:3]([CH2:8][CH2:9][C:10](=[O:12])[N:41]2[CH2:40][CH:39]3[C:38]([CH3:37])([c:44]4[cH:45][c:46]([NH:50][S:51](=[O:52])(=[O:53])[CH3:54])[cH:47][cH:48][cH:49]4)[CH:43]3[CH2:42]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 956763-(2-Chlorophenyl)propanoic acidHCID 22141143N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

Product 1

HCID 22141174N-(3-{3-[3-(2-chlorophenyl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

Sources & evidence

ORD record
ord-f4fb4c7b123543e9b8e3cce446ceff77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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