1-Butanol → HCID 178456865, compound

HRID 686594Notes

Reaction equation

HRID 686594 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[c:10]2[n:11][cH:12][n:13]([CH:19]([CH3:20])[CH3:21])[c:14]2[n:15][c:16]([F:18])[n:17]1.[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:45][S:46]([CH3:47])=[O:48].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[NH2:31][CH:32]([CH:33]([CH:34]([CH3:35])[CH3:36])[OH:37])[CH2:38][CH3:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[c:10]2[n:11][cH:12][n:13]([CH:19]([CH3:20])[CH3:21])[c:14]2[n:15][c:16]([NH:31][CH:32]([CH:33]([CH:34]([CH3:35])[CH3:36])[OH:37])[CH2:38][CH3:39])[n:17]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 679Dimethyl SulfoxideHCID 446743-Hexanol, 4-amino-2-methyl-HCID 81531DiisopropylethylamineHCID 17954009Benzyl-(2-fluoro-9-isopropyl-9H-purin-6-yl)-amine

Product 1

HCID 178456865HCID 178456865, compound

Sources & evidence

ORD record
ord-d570ac1feb1f41d1b87e417bd814ef20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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