1-Butanol → HCID 178505654, compound

HRID 697112Notes

Reaction equation

HRID 697112 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[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][NH2:20])[c:9](-[c:12]3[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]3)[n:10][c:11]12.[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[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][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:9](-[c:12]3[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]3)[n:10][c:11]12

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 53592776-ChloropurineHCID 57708000HCID 57708000, compound

Product 1

HCID 178505654HCID 178505654, compound

Sources & evidence

ORD record
ord-bf8fd90c2f064808b779f30de7d0fd14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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