1-Butanol → HCID 178463559, compound

HRID 292394Notes

Reaction equation

HRID 292394 reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8][cH:9][n:10]1.[F:11][c:12]1[cH:13][cH:14][c:15]2[c:16]([n:17](-[c:23]3[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]3)[c:18]([CH:20]([CH3:21])[NH2:22])[n:19]2)[cH:30]1>>[c:2]1([NH:22][CH:20]([c:18]2[n:17](-[c:23]3[cH:24][c:25]([F:29])[cH:26][cH:27][cH:28]3)[c:16]3[c:15]([cH:14][cH:13][c:12]([F:11])[cH:30]3)[n:19]2)[CH3:21])[c:3]2[n:4][cH:5][nH:6][c:7]2[n:8][cH:9][n:10]1

Participants

7

Reactant 6

HCID 2631-ButanolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 58459122HCID 58459122, compound

Product 1

HCID 178463559HCID 178463559, compound

Sources & evidence

ORD record
ord-7c52cabb490c40029dbb18f3351be59a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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