1-Butanol → HCID 23036309, compound

HRID 1143446Notes

Reaction equation

HRID 1143446 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:47]([OH:48])[CH2:49][CH2:50][CH3:51].[CH:52]([Cl:53])([Cl:54])[Cl: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]([C:9]#[N:10])([CH:11]2[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].[K+:45]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]#[N:10])([CH:11]2[CH2:12][N:13]([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)[CH2:14][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

8

Reactant 7

HCID 2631-ButanolHCID 813Potassium Cation3×HCID 6212ChloroformHCID 19660Carbonate IonHCID 30165Iodide IonHCID 73142644-(3-Chloropropoxy)-3-methoxyacetophenoneHCID 15020357HCID 15020357, compound

Product 1

HCID 23036309HCID 23036309, compound

Sources & evidence

ORD record
ord-c421e6ba47ad4dbaacd2fb1641a12175
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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