Acetic Acid → (9-(2-(3-(2-Hydroxyethyl)phenoxy)ethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-methylthiazol-4-yl)methanone

HRID 103172Notes

Reaction equation

HRID 103172 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:21][c:22]1[s:23][cH:24][c:25]([C:27](=[O:28])[N:29]2[CH2:30][CH2:31][O:32][C:33]3([CH2:34]2)[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]3)[n:26]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:58][OH:59].[F:14][C:15]([F:16])([F:17])[C:18]([OH:19])=[O:20].[Na+:57].[OH:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]([O:7][CH2:8][CH:9]=[O:10])[cH:11][cH:12][cH:13]1>>[OH:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]([O:7][CH2:8][CH2:9][N:37]2[CH2:36][CH2:35][C:33]3([O:32][CH2:31][CH2:30][N:29]([C:27]([c:25]4[cH:24][s:23][c:22]([CH3:21])[n:26]4)=[O:28])[CH2:34]3)[CH2:39][CH2:38]2)[cH:11][cH:12][cH:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 2724942TriacetoxyborohydrideHCID 579889682-(3-(2-Hydroxyethyl)phenoxy)acetaldehydeHCID 57989231(2-Methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 57989375(9-(2-(3-(2-Hydroxyethyl)phenoxy)ethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-methylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-6c95aaf52d3c48b7b15f23efbcfa5a5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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