Hexane → HCID 23114344, compound

HRID 2322788Notes

Reaction equation

HRID 2322788 reaction equation
[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH3:31][N:32]([CH2:33][CH2:34][NH2:35])[CH3:36].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:30])[c:16]([NH:21][C:22]([O:23][CH2:24][C:25]([Cl:26])([Cl:27])[Cl:28])=[O:29])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:30])[c:16]([NH:21][C:22](=[O:29])[NH:35][CH2:34][CH2:33][N:32]([CH3:31])[CH3:36])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 66053N,N-DimethylethylenediamineHCID 86618058HCID 86618058, compound

Product 1

HCID 23114344HCID 23114344, compound

Sources & evidence

ORD record
ord-2da6f72c01ef48e7b41390b7314e437c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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