Ethanol → HCID 54135895, compound

HRID 208569Notes

Reaction equation

HRID 208569 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][c:13]([Cl:31])[c:14]([O:18][CH:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:15]([Cl:17])[cH:16]1)[cH:32][c:33]([NH:36][C:37](=[O:38])[NH:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1)[cH:34][cH:35]2.[CH3:48][CH2:49][OH:50].[Na+:47].[OH-:46]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][c:13]([Cl:31])[c:14]([O:18][CH:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[C:26](=[O:27])[OH:28])[c:15]([Cl:17])[cH:16]1)[cH:32][c:33]([NH:36][C:37](=[O:38])[NH:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1)[cH:34][cH:35]2

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 54049070HCID 54049070, compound

Product 1

HCID 54135895HCID 54135895, compound

Sources & evidence

ORD record
ord-d90f7732060741c98c2009a31ecbd7bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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