Acetonitrile → (9-(9-Hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-3-yl)methanone

HRID 1119549Notes

Reaction equation

HRID 1119549 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][OH:11].[CH3:12][c:13]1[cH:14][c:15]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][O:23][C:24]3([CH2:25]2)[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]3)[cH:16][s:17]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][C:39]#[N:40]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][OH:11])[N:28]1[CH2:27][CH2:26][C:24]2([O:23][CH2:22][CH2:21][N:20]([C:18]([c:15]3[cH:14][c:13]([CH3:12])[s:17][cH:16]3)=[O:19])[CH2:25]2)[CH2:30][CH2:29]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 1087001-Nonanol, 9-bromo-HCID 57988956(5-Methylthiophen-3-yl)(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 57988920(9-(9-Hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-3-yl)methanone

Sources & evidence

ORD record
ord-f01ca3360c2c444596bd48928cbe23d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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