1-Butanol → HCID 23036336, compound

HRID 1207527Notes

Reaction equation

HRID 1207527 reaction equation
[CH2:50]([OH:51])[CH2:52][CH2:53][CH3:54].[Cl:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][O:30][c:31]1[c:32]([O:40][CH3:41])[cH:33][c:34]([C:37]([CH3:38])=[O:39])[cH:35][cH:36]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH: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-:49].[K+:48].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][N:13]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][O:30][c:31]3[c:32]([O:40][CH3:41])[cH:33][c:34]([C:37]([CH3:38])=[O:39])[cH:35][cH:36]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 CationHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 11208889Bis(4-fluorophenyl)(piperidin-4-yl)methanolHCID 14407180HCID 14407180, compound

Product 1

HCID 23036336HCID 23036336, compound

Sources & evidence

ORD record
ord-5419900c0caf442197243be0130bd3a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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