Acetate → HCID 20740433, compound

HRID 163000Notes

Reaction equation

HRID 163000 reaction equation
[CH2:11]([CH:12]=[CH2:13])[n:14]1[c:15]([C:19](=[O:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[cH:16][cH:17][cH:18]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:30][C:31](=[O:32])[O-:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:29].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:41].[P:6]([Cl:7])([Cl:8])([Cl:9])=[O:10]>>[O:1]=[CH:2][c:17]1[cH:16][c:15]([C:19](=[O:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[n:14]([CH2:11][CH:12]=[CH2:13])[cH:18]1

Participants

9

Reactant 8

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 24813Phosphorus oxychlorideHCID 23510369(4-Methoxyphenyl)[1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]methanone

Product 1

HCID 20740433HCID 20740433, compound

Sources & evidence

ORD record
ord-733ea4e3cd194b7cb8baa5e140aa442b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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