1-Butanol → HCID 178425123, compound

HRID 2146969Notes

Reaction equation

[CH2:31]([OH:32])[CH2:33][CH2:34][CH3:35].[CH3:21][c:22]1[c:23]([CH2:29][NH2:30])[cH:24][n:25][c:26]([CH3:28])[cH:27]1.[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:1][c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8][c:9]([F:11])[n:10]1>>[c:2]1([NH:30][CH2:29][c:23]2[c:22]([CH3:21])[cH:27][c:26]([CH3:28])[n:25][cH:24]2)[c:3]2[n:4][cH:5][nH:6][c:7]2[n:8][c:9]([F:11])[n:10]1

Participants

Reactant 4

HCID 2631-Butanol

HCID 81531Diisopropylethylamine

HCID 52879146-Chloro-2-fluoropurine

HCID 289249021-(4,6-Dimethylpyridin-3-yl)methanamine

Product 1

HCID 178425123HCID 178425123, compound

Sources & evidence

ORD record: ord-596c1d4bc132460492c4ec7c567ba54b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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