Water → (2-Ethylthiazol-4-yl)(9-(4-(2-hydroxyethyl)phenethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

HRID 1568334Notes

Reaction equation

HRID 1568334 reaction equation
[Br:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][OH:12])[cH:8][cH:9]1.[C:40](=[O:41])([O-:42])[O-:43].[CH2:20]([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.[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[Cs+:44].[Cs+:45].[F:13][C:14]([F:15])([F:16])[C:17]([OH:18])=[O:19].[OH2:53]>>[CH2:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][OH:12])[cH:8][cH:9]1)[N:37]1[CH2:36][CH2:35][C:33]2([O:32][CH2:31][CH2:30][N:29]([C:27]([c:25]3[cH:24][s:23][c:22]([CH2:20][CH3:21])[n:26]3)=[O:28])[CH2:34]2)[CH2:39][CH2:38]1

Participants

8

Reactant 7

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 58168456(2-Ethylthiazol-4-yl)(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanoneHCID 669633682-(4-(2-Bromoethyl)phenyl)ethanol

Product 1

HCID 58168519(2-Ethylthiazol-4-yl)(9-(4-(2-hydroxyethyl)phenethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Sources & evidence

ORD record
ord-9bad31a5e7884b6a95cb25ec5fe3eaae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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