Ethanol → HCID 87509178, compound

HRID 2341544Notes

Reaction equation

HRID 2341544 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[C:11](=[O:12])[O:13][CH2:14][CH3:15].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:17][CH2:18][O-:19].[CH3:38][CH2:39][OH:40].[Cl:21][CH2:22][c:23]1[cH:24][c:25]([C:34]([F:35])([F:36])[F:37])[c:26]([NH2:33])[c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1.[Na+:16].[Na:20].[OH2:47]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([C:11](=[O:12])[O:13][CH2:14][CH3:15])[CH2:22][c:23]1[cH:24][c:25]([C:34]([F:35])([F:36])[F:37])[c:26]([NH2:33])[c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 14041Acetamidomalonic acid diethyl esterHCID 312751,4-DioxaneHCID 1194401-Hydroxyethyl radicalHCID 5360545SodiumHCID 85968180HCID 85968180, compound

Product 1

HCID 87509178HCID 87509178, compound

Sources & evidence

ORD record
ord-6ded9705bb9e4546adba1834ed590b0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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