Ethanol → HCID 70663158, compound

HRID 2162755Notes

Reaction equation

HRID 2162755 reaction equation
[CH3:37][CH2:38][OH:39].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][C:16]([C:18]#[N:19])([c:20]2[c:21]([Br:33])[cH:22][c:23]([CH:26]([O:27][CH2:28][CH3:29])[O:30][CH2:31][CH3:32])[cH:24][cH:25]2)[CH2:17]1.[Na+:35].[OH-:34].[OH2:36]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][C:16]([C:18](=[O:34])[OH:36])([c:20]2[c:21]([Br:33])[cH:22][c:23]([CH:26]([O:27][CH2:28][CH3:29])[O:30][CH2:31][CH3:32])[cH:24][cH:25]2)[CH2:17]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 58079830HCID 58079830, compound

Product 1

HCID 70663158HCID 70663158, compound

Sources & evidence

ORD record
ord-d545f31e36e944f883aeb30ab03592e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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