1-Butanol → HCID 178505892, compound

HRID 98833Notes

Reaction equation

HRID 98833 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:16]2[n:17][c:18]3[c:19]([Cl:28])[cH:20][cH:21][cH:22][c:23]3[cH:24][c:25]2[CH2:26][NH2:27])[cH:11][c:12]([F:15])[cH:13][cH:14]1.[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:29][c:30]1[c:31]2[nH:32][cH:33][n:34][c:35]2[n:36][cH:37][n:38]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:16]2[n:17][c:18]3[c:19]([Cl:28])[cH:20][cH:21][cH:22][c:23]3[cH:24][c:25]2[CH2:26][NH:27][c:30]2[c:31]3[n:32][cH:33][nH:34][c:35]3[n:36][cH:37][n:38]2)[cH:11][c:12]([F:15])[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 57707788HCID 57707788, compound

Product 1

HCID 178505892HCID 178505892, compound

Sources & evidence

ORD record
ord-5290292fdf944d5da442a391dee29eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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