1-Butanol → HCID 15093867, compound

HRID 2348018Notes

Reaction equation

HRID 2348018 reaction equation
[CH2:49]([OH:50])[CH2:51][CH2:52][CH3:53].[CH3:54][CH:55]([OH:56])[CH3:57].[Cl:25][CH2:26][CH2:27][CH2:28][O:29][c:30]1[c:31]([O:39][CH3:40])[cH:32][c:33]([C:36]([CH3:37])=[O:38])[cH:34][cH:35]1.[F:1][c:2]1[cH:3][c:4]([C:9]([OH:10])([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[F:8].[I-:48].[K+:47].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[F:1][c:2]1[cH:3][c:4]([C:9]([OH:10])([CH:11]2[CH2:12][CH2:13][N:14]([CH2:26][CH2:27][CH2:28][O:29][c:30]3[c:31]([O:39][CH3:40])[cH:32][c:33]([C:36]([CH3:37])=[O:38])[cH:34][cH:35]3)[CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[F:8]

Participants

9

Reactant 8

HCID 2631-ButanolHCID 813Potassium CationHCID 923Sodium ion2×HCID 3776IsopropanolHCID 19660Carbonate IonHCID 30165Iodide IonHCID 73142644-(3-Chloropropoxy)-3-methoxyacetophenoneHCID 19992282HCID 19992282, compound

Product 1

HCID 15093867HCID 15093867, compound

Sources & evidence

ORD record
ord-f5c8f1fdfc504d04bb5f4cbda000862d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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