1-Butanol → HCID 178505772, compound

HRID 1546280Notes

Reaction equation

HRID 1546280 reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:20][NH2:21])[c:9](-[c:12]3[c:13]([Cl:19])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[n:10][c:11]12.[Cl:22][c:23]1[c:24]2[nH:25][cH:26][n:27][c:28]2[n:29][cH:30][n:31]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:20][NH:21][c:23]3[c:24]4[n:25][cH:26][nH:27][c:28]4[n:29][cH:30][n:31]3)[c:9](-[c:12]3[c:13]([Cl:19])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[n:10][c:11]12

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 57707983HCID 57707983, compound

Product 1

HCID 178505772HCID 178505772, compound

Sources & evidence

ORD record
ord-87839e63c41c4537a154381f78b435f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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