Ethanol → HCID 54280575, compound

HRID 1141484Notes

Reaction equation

HRID 1141484 reaction equation
[CH3:17][CH:18]([CH3:19])[N:20]1[C:21](=[O:38])[O:22][CH:23]([CH2:25][O:26][c:27]2[cH:28][cH:29][c:30]([N+:35](=[O:36])[O-:37])[c:31]([CH:32]=[O:33])[cH:34]2)[CH2:24]1.[CH3:39][CH2:40][OH:41].[Na:1].[O:2]=[C:3]1[NH:4][CH:5]([P:9]([O:10][CH2:11][CH3:12])(=[O:13])[O:14][CH2:15][CH3:16])[C:6](=[O:8])[NH:7]1.[OH2:42]>>[O:2]=[C:3]1[NH:4][C:5](=[CH:32][c:31]2[c:30]([N+:35](=[O:36])[O-:37])[cH:29][cH:28][c:27]([O:26][CH2:25][CH:23]3[O:22][C:21](=[O:38])[N:20]([CH:18]([CH3:17])[CH3:19])[CH2:24]3)[cH:34]2)[C:6](=[O:8])[NH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 3516088Diethyl 5-hydantoylphosphonateHCID 5360545SodiumHCID 14281044HCID 14281044, compound

Product 1

HCID 54280575HCID 54280575, compound

Sources & evidence

ORD record
ord-f4e13d969c2f4b5a9b407c90cb8effe5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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