Ethanol → HCID 68153702, compound

HRID 1552845Notes

Reaction equation

HRID 1552845 reaction equation
[CH2:18]([O:19][P:20]([O:21][CH2:22][CH3:23])(=[O:24])[CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH3:25].[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([CH:16]=[O:17])[cH:14][cH:15]2)[cH:8][cH:9]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:40][CH2:41][O-:42].[CH3:43][CH2:44][OH:45].[Na+:39].[OH2:46]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:14][cH:15]2)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 13345Triethyl phosphonoacetateHCID 1194401-Hydroxyethyl radicalHCID 1394359HCID 1394359, compound

Product 1

HCID 68153702HCID 68153702, compound

Sources & evidence

ORD record
ord-e88e3d5736204e60b8c54c56e13f472f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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