Ethanol → HCID 18771995, compound

HRID 2124628Notes

Reaction equation

HRID 2124628 reaction equation
[CH3:30][CH2:31][OH:32].[CH3:33][CH2:34][O-:35].[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[s:9][cH:10][c:11]([NH:13][C:14](=[O:15])[NH:16][c:17]3[n:18][c:19]([CH2:23][N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[n:12]2)[cH:7]1.[Na+:36].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[c:2]1([O:32][CH2:31][CH3:30])[n:3][cH:4][cH:5][c:6](-[c:8]2[s:9][cH:10][c:11]([NH:13][C:14](=[O:15])[NH:16][c:17]3[n:18][c:19]([CH2:23][N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[n:12]2)[cH:7]1

Participants

6

Reactant 5

HCID 702Ethanol2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 1194401-Hydroxyethyl radicalHCID 18771586HCID 18771586, compound

Product 1

HCID 18771995HCID 18771995, compound

Sources & evidence

ORD record
ord-72e8c370ee1643c0960364841a09be86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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