1-Butanol → Hydrochloric Acid

HRID 119480

Reaction equation

HRID 119480 reaction equation
[C:32](=[O:33])([OH:34])[O-:35].[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:16][CH2:17][CH2:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][c:24]([NH:27][S:28](=[O:29])(=[O:30])[CH3:31])[cH:25][cH:26]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:6][cH:7]1.[I-:38].[K+:36].[K+:37]>>[ClH:16].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[CH:10]2[CH2:11][CH2:12][N:13]([CH2:17][CH2:18][C:19](=[O:20])[c:21]3[cH:22][cH:23][c:24]([NH:27][S:28](=[O:29])(=[O:30])[CH3:31])[cH:25][cH:26]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

9

Reactant 7

HCID 2631-ButanolHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 30165Iodide IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 13763352N-[4-(3-chloro-1-oxopropyl)phenyl]methanesulfonamide

Product 2

HCID 313Hydrochloric AcidHCID 15816994N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide

Sources & evidence

ORD record
ord-894709c545c541b7a5546bb19d0128c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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