1-Butanol → HCID 23036405, compound

HRID 1218104Notes

Reaction equation

HRID 1218104 reaction equation
[CH2:47]([OH:48])[CH2:49][CH2:50][CH3:51].[CH3:52][CH:53]([OH:54])[CH3:55].[Cl:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[c:29]([O:37][CH3:38])[cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][NH:12][CH2:13][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+:45].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][N:12]([CH2:24][CH2:25][CH2:26][O:27][c:28]3[c:29]([O:37][CH3:38])[cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]3)[CH2:13][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

Participants

9

Reactant 8

HCID 2631-ButanolHCID 813Potassium CationHCID 923Sodium ion2×HCID 3776IsopropanolHCID 19660Carbonate IonHCID 30165Iodide IonHCID 73142644-(3-Chloropropoxy)-3-methoxyacetophenoneHCID 23036404HCID 23036404, compound

Product 1

HCID 23036405HCID 23036405, compound

Sources & evidence

ORD record
ord-67f6f0cc1ec547899a7d506f78f13c72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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