Ethanol → HCID 22111019, compound

HRID 1206749Notes

Reaction equation

HRID 1206749 reaction equation
[C:45](=[O:46])([O-:47])[OH:48].[CH3:50][CH2:51][OH:52].[Na+:49].[c:1]1([CH:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[NH:14][CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:23][C:24]3([CH3:44])[O:25][c:26]4[c:27]([c:29]([CH3:43])[c:30]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[c:31]([CH3:34])[c:32]4[CH3:33])[CH2:28]3)[CH2:21][CH2:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[NH:14][CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:23][C:24]3([CH3:44])[O:25][c:26]4[c:27]([c:29]([CH3:43])[c:30]([NH2:35])[c:31]([CH3:34])[c:32]4[CH3:33])[CH2:28]3)[CH2:21][CH2:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 86756222HCID 86756222, compound

Product 1

HCID 22111019HCID 22111019, compound

Sources & evidence

ORD record
ord-35461223ee6f4a5b98e3959d5ae2dfaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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