1-Butanol → HCID 178505451, compound

HRID 1224708Notes

Reaction equation

HRID 1224708 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:1][c:2]1[c:3](-[c:8]2[n:9][c:10]3[cH:11][cH:12][c:13]([F:20])[cH:14][c:15]3[cH:16][c:17]2[CH2:18][NH2:19])[cH:4][cH:5][cH:6][cH:7]1.[Cl:21][c:22]1[c:23]2[nH:24][cH:25][n:26][c:27]2[n:28][cH:29][n:30]1>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]3[cH:11][cH:12][c:13]([F:20])[cH:14][c:15]3[cH:16][c:17]2[CH2:18][NH:19][c:22]2[c:23]3[n:24][cH:25][nH:26][c:27]3[n:28][cH:29][n:30]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 57707967HCID 57707967, compound

Product 1

HCID 178505451HCID 178505451, compound

Sources & evidence

ORD record
ord-6b7d1d8ee11a4812b44e94241157fca5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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