1-Butanol → HCID 178463556, compound

HRID 1135550Notes

Reaction equation

HRID 1135550 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[c:3]2[cH:4][c:5](-[c:15]3[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]3)[c:6]([CH:12]([CH3:13])[NH2:14])[n:7][c:8]2[cH:9][cH:10][cH:11]1.[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[c:3]2[cH:4][c:5](-[c:15]3[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]3)[c:6]([CH:12]([CH3:13])[NH:14][c:23]3[c:24]4[n:25][cH:26][nH:27][c:28]4[n:29][cH:30][n:31]3)[n:7][c:8]2[cH:9][cH:10][cH:11]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 59634711HCID 59634711, compound

Product 1

HCID 178463556HCID 178463556, compound

Sources & evidence

ORD record
ord-059d0ae6fddd46c382fa495e66a58b3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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