1-Butanol → HCID 18449237, compound

HRID 1552642Notes

Reaction equation

HRID 1552642 reaction equation
[CH2:37]([OH:38])[CH2:39][CH2:40][CH3:41].[Cl:22][c:23]1[n:24][cH:25][c:26]([C:29]#[N:30])[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+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36]>>[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]#[N:30])[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 51520946-Chloro-3-pyridinecarbonitrileHCID 18449242HCID 18449242, compound

Product 1

HCID 18449237HCID 18449237, compound

Sources & evidence

ORD record
ord-8eb7a3f2292a453b802ede40f2f1d3ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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