1-Butanol → Hydrochloric Acid

HRID 1138882Notes

Reaction equation

HRID 1138882 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[Cl:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([C:34]([CH:35]([CH3:36])[CH3:37])=[O:38])[cH:32][cH:33]1.[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1.[I-:46].[K+:43].[K+:44].[Na+:45]>>[ClH:23].[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]([CH:10]2[CH2:11][CH2:12][N:13]([CH2:24][CH2:25][CH2:26][O:27][c:28]3[cH:29][cH:30][c:31]([C:34]([CH:35]([CH3:36])[CH3:37])=[O:38])[cH:32][cH:33]3)[CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1

Participants

10

Reactant 8

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 19660Carbonate IonHCID 30165Iodide IonHCID 19771957N,alpha-bis(4-fluorophenyl)-4-piperidinemethanamineHCID 197720131-[4-(3-Chloropropoxy)phenyl]-2-methyl-1-propanone

Product 2

HCID 313Hydrochloric Acid2×HCID 197720981-[4-[3-[4-[(4-Fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]-2-methylpropan-1-one

Sources & evidence

ORD record
ord-a30f439c583b49f0985d2d9ef2a196df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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