1-Butanol → HCID 178463520, compound

HRID 1114978Notes

Reaction equation

HRID 1114978 reaction equation
[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:20]([CH3:21])[NH2:22])[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:23][c:24]1[c:25]2[nH:26][cH:27][n:28][c:29]2[n:30][cH:31][n:32]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:20]([CH3:21])[NH:22][c:24]3[c:25]4[n:26][cH:27][nH:28][c:29]4[n:30][cH:31][n:32]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 178463204HCID 178463204, compound

Product 1

HCID 178463520HCID 178463520, compound

Sources & evidence

ORD record
ord-08bd775658e64969ba1ee30946c71fde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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