1-Butanol → HCID 178463526, compound

HRID 1144590Notes

Reaction equation

HRID 1144590 reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:21][c:22]1[c:23]2[nH:24][cH:25][n:26][c:27]2[n:28][cH:29][n:30]1.[F:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([CH:18]([CH3:19])[NH2:20])[c:8](-[c:12]3[cH:13][n:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1>>[F:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([CH:18]([CH3:19])[NH:20][c:22]3[c:23]4[n:24][cH:25][nH:26][c:27]4[n:28][cH:29][n:30]3)[c:8](-[c:12]3[cH:13][n:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 178463206HCID 178463206, compound

Product 1

HCID 178463526HCID 178463526, compound

Sources & evidence

ORD record
ord-aeb9b7da3b6f436da19bea8de9029cb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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