Hexane → HCID 70013612, compound

HRID 174480Notes

Reaction equation

HRID 174480 reaction equation
[C:19](=[O:20])([O:21][CH3:22])[c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29][cH:30]1.[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[NH2:1][CH:2]1[CH:3]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21>>[NH:1]([CH:2]1[CH:3]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21)[CH2:26][c:25]1[cH:24][c:23]([C:19](=[O:20])[O:21][CH3:22])[cH:30][cH:29][cH:28]1

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 639145Methyl 3-formylbenzoateHCID 18517958HCID 18517958, compound

Product 1

HCID 70013612HCID 70013612, compound

Sources & evidence

ORD record
ord-83ebc06fdad74b54b0b4d34cf3295c26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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