1-Butanol → HCID 18449238, compound

HRID 699681Notes

Reaction equation

HRID 699681 reaction equation
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[Cl:22][c:23]1[n:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]1.[F:1][c:2]1[cH:3][cH:4][c:5]2[n:6][c:7]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:8]3[n:9]([c:10]2[cH:11]1)[c:12](=[O:15])[nH:13][n:14]3.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[n:6][c:7]([N:16]3[CH2:17][CH2:18][N:19]([c:23]4[n:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[CH2:20][CH2:21]3)[c:8]3[n:9]([c:10]2[cH:11]1)[c:12](=[O:15])[nH:13][n:14]3

Participants

6

Reactant 5

HCID 2631-ButanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 923422-Chloro-5-(trifluoromethyl)pyridineHCID 18449242HCID 18449242, compound

Product 1

HCID 18449238HCID 18449238, compound

Sources & evidence

ORD record
ord-e5ea3114fa1141079a958210383c659a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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