Acetonitrile → (9-(4-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

HRID 2338015Notes

Reaction equation

HRID 2338015 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([F:12])[c:7]([CH2:9][CH2:10][OH:11])[cH:8]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]#[N:50].[CH:20]([CH3:21])([CH3:22])[c:23]1[s:24][cH:25][c:26]([C:28](=[O:29])[N:30]2[CH2:31][CH2:32][O:33][C:34]3([CH2:35]2)[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]3)[n:27]1.[F:13][C:14]([F:15])([F:16])[C:17]([OH:18])=[O:19]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([F:12])[c:7]([CH2:9][CH2:10][OH:11])[cH:8]1)[N:38]1[CH2:37][CH2:36][C:34]2([O:33][CH2:32][CH2:31][N:30]([C:28]([c:26]3[cH:25][s:24][c:23]([CH:20]([CH3:21])[CH3:22])[n:27]3)=[O:29])[CH2:35]2)[CH2:40][CH2:39]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 579890232-(5-(Bromomethyl)-2-fluorophenyl)ethanolHCID 57989152(2-Isopropylthiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 57989065(9-(4-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-f64b9496db0b4a1bb3569ae537eb7a2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…