1-Butanol → HCID 19772040, compound

HRID 172661Notes

Reaction equation

HRID 172661 reaction equation
[C:34](=[O:35])([OH:36])[O-:37].[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([CH:11]([NH:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:9][CH2:10]1.[NH2:27][c:28]1[n:29][cH:30][cH:31][cH:32][n:33]1.[Na+:38]>>[CH2:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([CH:11]([NH:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:9][CH2:10]1)[NH:27][c:28]1[n:29][cH:30][cH:31][cH:32][n:33]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 79782-AminopyrimidineHCID 19772068HCID 19772068, compound

Product 1

HCID 19772040HCID 19772040, compound

Sources & evidence

ORD record
ord-26cbff232e8b4c60abeb6d09ebf95edd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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