Ethanol → HCID 21839320, compound

HRID 101081Notes

Reaction equation

HRID 101081 reaction equation
[C:39]([O-:40])(=[O:41])[O-:42].[C:56]([O:57][CH2:58][CH3:59])(=[O:60])[CH3:61].[CH2:51]([O:52][CH2:53][CH3:54])[CH3:55].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:62][CH2:63][OH:64].[Cl:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:38]1)[CH:9]([c:28]1[cH:29][cH:30][cH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]13)[O:10][CH:11]([CH2:25][C:26]#[N:27])[C:12](=[O:24])[N:13]2[CH2:14][CH2:15][CH2:16][CH2:17][n:18]1[c:19]([CH3:23])[n:20][cH:21][cH:22]1.[K+:43].[K+:44].[OH:1][OH:2]>>[Cl:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:38]1)[CH:9]([c:28]1[cH:29][cH:30][cH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]13)[O:10][CH:11]([CH2:25][C:26]([NH2:27])=[O:40])[C:12](=[O:24])[N:13]2[CH2:14][CH2:15][CH2:16][CH2:17][n:18]1[c:19]([CH3:23])[n:20][cH:21][cH:22]1

Participants

9

Reactant 8

HCID 702EthanolHCID 784Hydrogen PeroxideHCID 813Potassium Cation2×HCID 3283Diethyl EtherHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 21839323HCID 21839323, compound

Product 1

HCID 21839320HCID 21839320, compound

Sources & evidence

ORD record
ord-5634cf2505164af0af9147c3b2df6ff0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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