Acetonitrile → (3-(3-(2-Hydroxyethyl)benzyl)-7-oxa-3,10-diazaspiro[5.6]dodecan-10-yl)(2-methylthiazol-4-yl)methanone

HRID 1216704Notes

Reaction equation

HRID 1216704 reaction equation
[Br:35][CH2:36][c:37]1[cH:38][c:39]([CH2:43][CH2:44][OH:45])[cH:40][cH:41][cH:42]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:46][C:47]#[N:48].[CH3:8][c:9]1[s:10][cH:11][c:12]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][C:20]3([CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[CH2:26][CH2:27]2)[n:13]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[CH3:8][c:9]1[s:10][cH:11][c:12]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][C:20]3([CH2:21][CH2:22][N:23]([CH2:36][c:37]4[cH:38][c:39]([CH2:43][CH2:44][OH:45])[cH:40][cH:41][cH:42]4)[CH2:24][CH2:25]3)[CH2:26][CH2:27]2)[n:13]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 18999576Benzeneethanol, 3-(bromomethyl)-HCID 57989333(2-Methyl-1,3-thiazol-4-yl)-(7-oxa-3,10-diazaspiro[5.6]dodecan-10-yl)methanone

Product 1

HCID 57989079(3-(3-(2-Hydroxyethyl)benzyl)-7-oxa-3,10-diazaspiro[5.6]dodecan-10-yl)(2-methylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-113b58800a08440899fca0ff42f65b78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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