Hydrochloric Acid → 4-{1-ethyl-1-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]propyl}-N-(2-methanesulfonylethyl)-2-methylbenzamide

HRID 166012Notes

Reaction equation

HRID 166012 reaction equation
[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66].[Cl:67][CH2:68][Cl:69].[ClH:31].[NH2:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38].[OH:1][CH:2]([CH2:3][O:4][c:5]1[c:6]([CH3:26])[cH:7][c:8]([C:11]([CH2:12][CH3:13])([CH2:14][CH3:15])[c:16]2[cH:17][c:18]([CH3:25])[c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:9][cH:10]1)[C:27]([CH3:28])([CH3:29])[CH3:30].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[c:6]([CH3:26])[cH:7][c:8]([C:11]([CH2:12][CH3:13])([CH2:14][CH3:15])[c:16]2[cH:17][c:18]([CH3:25])[c:19]([C:20](=[O:21])[NH:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:23][cH:24]2)[cH:9][cH:10]1)[C:27]([CH3:28])([CH3:29])[CH3:30]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 43405612-(Methylsulfonyl)ethanamineHCID 103643684-{1-[4-(3,3-Dimethyl-2-hydroxybutoxy)-3-methylphenyl]-1-ethylpropyl}-2-methylbenzoic acid

Product 1

HCID 577634394-{1-ethyl-1-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]propyl}-N-(2-methanesulfonylethyl)-2-methylbenzamide

Sources & evidence

ORD record
ord-8d68357cb65e47b8aa6d91727ec16d03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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