Acetic Acid → HCID 21853908, compound

HRID 2315858Notes

Reaction equation

HRID 2315858 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]([CH:22]([CH:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH3:29])[CH3:30])[cH:8][c:9]2[c:14]1[C:13]1=[C:12]([C:11]([CH3:20])([CH3:21])[O:10]2)[CH2:18][CH2:17][CH:16]([CH3:19])[CH2:15]1.[CH3:40][C:41](=[O:42])[OH:43].[CH:31]([Cl:32])([Cl:33])[Cl:34].[NH4+:35].[O-:36][N+:37](=[O:38])[O-:39]>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]([CH:22]([CH:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH3:29])[CH3:30])[cH:8][c:9]2[c:14]1[C:13]1=[C:12]([C:11]([CH3:20])([CH3:21])[O:10]2)[C:18](=[O:36])[CH2:17][CH:16]([CH3:19])[CH2:15]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 223AmmoniumHCID 943NitrateHCID 6212ChloroformHCID 1702296,6,9-Trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl acetate

Product 1

HCID 21853908HCID 21853908, compound

Sources & evidence

ORD record
ord-e40180aef6a244ff8da220cfa26c3aa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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