Acetic Acid → (4-{3-[Ethyl-(5-phenyl-pyridin-2-yl)-amino]-propylsulfanyl}-5-methoxy-2-methyl-phenoxy)-acetic acid methyl ester

HRID 139358Notes

Reaction equation

HRID 139358 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:55](=[O:56])([OH:57])[O-:58].[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:31])[cH:8][c:9]([S:14][CH2:15][CH2:16][CH2:17][NH:18][c:19]2[n:20][cH:21][c:22](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:10]([O:12][CH3:13])[cH:11]1)=[O:32].[CH3:60][C:61](=[O:62])[OH:63].[CH:33]([CH3:34])=[O:35].[Cl:50][CH:51]([Cl:52])[CH3:53].[ClH:54].[Na+:49].[Na+:59]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:31])[cH:8][c:9]([S:14][CH2:15][CH2:16][CH2:17][N:18]([c:19]2[n:20][cH:21][c:22](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[CH2:33][CH3:34])[c:10]([O:12][CH3:13])[cH:11]1)=[O:32]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 20770841HCID 20770841, compound

Product 1

HCID 20770817(4-{3-[Ethyl-(5-phenyl-pyridin-2-yl)-amino]-propylsulfanyl}-5-methoxy-2-methyl-phenoxy)-acetic acid methyl ester

Sources & evidence

ORD record
ord-d4833b622ab3401db5eac1a408eab398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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