Hydrochloric Acid → (9-(3-(2-Hydroxyethyl)phenethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

HRID 2126045Notes

Reaction equation

HRID 2126045 reaction equation
[Br:23][CH2:24][CH2:25][c:26]1[cH:27][c:28]([CH2:32][CH2:33][OH:34])[cH:29][cH:30][cH:31]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:42][C:43]#[N:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:2]([CH3:3])([CH3:4])[c:5]1[s:6][cH:7][c:8]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][O:15][C:16]3([CH2:17]2)[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[n:9]1.[ClH:1].[K+:39].[K+:40].[OH2:41]>>[CH:2]([CH3:3])([CH3:4])[c:5]1[s:6][cH:7][c:8]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][O:15][C:16]3([CH2:17]2)[CH2:18][CH2:19][N:20]([CH2:24][CH2:25][c:26]2[cH:27][c:28]([CH2:32][CH2:33][OH:34])[cH:29][cH:30][cH:31]2)[CH2:21][CH2:22]3)[n:9]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 57989152(2-Isopropylthiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanoneHCID 581685432-(3-(2-Bromoethyl)phenyl)ethanol

Product 1

HCID 58168488(9-(3-(2-Hydroxyethyl)phenethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-04cd49dea442456c8bb3ae36d57202e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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