Ethanol → HCID 54337790, compound

HRID 1231862Notes

Reaction equation

HRID 1231862 reaction equation
[CH3:53][CH2:54][OH:55].[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][cH:8][cH:9][c:10]3[c:11]([O:17][CH2:18][c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[cH:12][c:13]([CH3:16])[n:14][c:15]23)[c:25]([Cl:50])[cH:26][cH:27][c:28]1[N:29]([CH3:30])[C:31]([CH2:32][NH:33][C:34]([CH:35]=[CH:36][c:37]1[cH:38][n:39][c:40]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:41][cH:42]1)=[O:48])=[O:49].[Na+:52].[OH-:51]>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][cH:8][cH:9][c:10]3[c:11]([O:17][CH2:18][c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[cH:12][c:13]([CH3:16])[n:14][c:15]23)[c:25]([Cl:50])[cH:26][cH:27][c:28]1[N:29]([CH3:30])[C:31]([CH2:32][NH:33][C:34]([CH:35]=[CH:36][c:37]1[cH:38][n:39][c:40]([C:43](=[O:44])[OH:45])[cH:41][cH:42]1)=[O:48])=[O:49]

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 53993862HCID 53993862, compound

Product 1

HCID 54337790HCID 54337790, compound

Sources & evidence

ORD record
ord-6f84e6b4c54049beaef76ca7b4308438
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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