1-Butanol → HCID 87235108, compound

HRID 1120876Notes

Reaction equation

HRID 1120876 reaction equation
[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH3:19][S:20](=[O:21])(=[O:22])[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[n:5][c:6]([Cl:8])[cH:7]1>>[c:2]1([N:26]2[CH2:25][CH2:24][N:23]([S:20]([CH3:19])(=[O:21])=[O:22])[CH2:28][CH2:27]2)[n:3][c:4]([NH:9][CH:10]([CH3:11])[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[n:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 7091611-(Methylsulfonyl)piperazineHCID 87235137HCID 87235137, compound

Product 1

HCID 87235108HCID 87235108, compound

Sources & evidence

ORD record
ord-b9ebf8de8a9f43528e7302e50e200148
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…