Ethanol → HCID 68583596, compound

HRID 1200444Notes

Reaction equation

HRID 1200444 reaction equation
[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH2:39]([CH3:40])[OH:41].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][c:15]3[n:16](-[c:28]4[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]4)[cH:17][c:18](-[c:20]4[c:21]([Cl:27])[cH:22][c:23]([Cl:26])[cH:24][cH:25]4)[n:19]3)[cH:12][cH:13]2)[cH:7]1.[Na+:38].[OH-:37].[OH2:42].[OH2:43]>>[c:2]1(=[O:41])[nH:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][c:15]3[n:16](-[c:28]4[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]4)[cH:17][c:18](-[c:20]4[c:21]([Cl:27])[cH:22][c:23]([Cl:26])[cH:24][cH:25]4)[n:19]3)[cH:12][cH:13]2)[cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962Water2×HCID 8857Ethyl AcetateHCID 86614316HCID 86614316, compound

Product 1

HCID 68583596HCID 68583596, compound

Sources & evidence

ORD record
ord-8c1df788a4ff43b98a24691eefe993c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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