Chloride → 2-(methanesulfonamido)-N-[2-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethyl]-3-methylbutanamide

HRID 178575Notes

Reaction equation

HRID 178575 reaction equation
[CH3:44][O-:45].[CH3:51][OH:52].[Cl-:50].[I-:48].[K+:47].[Na+:46].[Na+:49].[OH:1][c:2]1[c:3]([O:22][CH3:23])[cH:4][c:5]([CH2:8][CH2:9][NH:10][C:11]([CH:12]([CH:13]([CH3:14])[CH3:15])[NH:16][S:17](=[O:18])(=[O:19])[CH3:20])=[O:21])[cH:6][cH:7]1.[c:24]1([C:30]#[C:31][CH2:32][O:33][S:34]([c:35]2[cH:36][cH:37][c:38]([CH3:39])[cH:40][cH:41]2)(=[O:42])=[O:43])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[O:1]([c:2]1[c:3]([O:22][CH3:23])[cH:4][c:5]([CH2:8][CH2:9][NH:10][C:11]([CH:12]([CH:13]([CH3:14])[CH3:15])[NH:16][S:17](=[O:18])(=[O:19])[CH3:20])=[O:21])[cH:6][cH:7]1)[CH2:32][C:31]#[C:30][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 813Potassium CationHCID 887MethanolHCID 923Sodium ion2×HCID 30165Iodide IonHCID 3826051MethoxideHCID 105173333-Phenylprop-2-yn-1-yl 4-methylbenzene-1-sulfonateHCID 18619834N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(methanesulfonamido)-3-methylbutanamide

Product 1

HCID 186198582-(methanesulfonamido)-N-[2-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethyl]-3-methylbutanamide

Sources & evidence

ORD record
ord-b225aa91671a4db982ee90bad86f8cd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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