1-Butanol → HCID 23036327, compound

HRID 1135807Notes

Reaction equation

HRID 1135807 reaction equation
[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[CH3:50][CH:51]([OH:52])[CH3:53].[Cl:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[c:29]([O:35][CH3:36])[cH:30][c:31]([CH3:34])[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][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-:44].[K+:43].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42]>>[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][O:27][c:28]3[c:29]([O:35][CH3:36])[cH:30][c:31]([CH3:34])[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

9

Reactant 8

HCID 2631-ButanolHCID 813Potassium CationHCID 923Sodium ion2×HCID 3776IsopropanolHCID 19660Carbonate IonHCID 30165Iodide IonHCID 11208889Bis(4-fluorophenyl)(piperidin-4-yl)methanolHCID 23036323HCID 23036323, compound

Product 1

HCID 23036327HCID 23036327, compound

Sources & evidence

ORD record
ord-d38a49598a624d5fb1fc7694f8cedd6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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