Ethanol → HCID 9873611, compound

HRID 1148750Notes

Reaction equation

HRID 1148750 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([CH2:27][c:28]3[cH:29][c:30]([O:45][CH3:46])[c:31]([NH:34][C:35](=[O:36])[NH:37][c:38]4[c:39]([CH3:44])[cH:40][cH:41][cH:42][cH:43]4)[cH:32][cH:33]3)=[O:47])[cH:23][cH:24]2)[N:8]([C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[CH2:9][CH2:10]1.[CH3:50][CH2:51][OH:52].[CH3:53][C:54]#[N:55].[Na+:49].[OH-:48]>>[O:3]=[C:4]([OH:5])[CH:6]1[CH:7]([c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([CH2:27][c:28]3[cH:29][c:30]([O:45][CH3:46])[c:31]([NH:34][C:35](=[O:36])[NH:37][c:38]4[c:39]([CH3:44])[cH:40][cH:41][cH:42][cH:43]4)[cH:32][cH:33]3)=[O:47])[cH:23][cH:24]2)[N:8]([C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 6342AcetonitrileHCID 69833704HCID 69833704, compound

Product 1

HCID 9873611HCID 9873611, compound

Sources & evidence

ORD record
ord-1796e71fb31c4d1dbfa5fbbceab8143e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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