Ethanol → HCID 178471235, compound

HRID 1131795Notes

Reaction equation

HRID 1131795 reaction equation
[C:36]([BH3-:37])#[N:38].[CH2:41]([OH:42])[CH3:43].[NH2:16][CH:17]([CH3:18])[C:19](=[O:20])[N:21]1[CH:22]([C:23](=[O:24])[OH:25])[CH2:26][CH:27]([S:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:28]1.[Na+:39].[O:1]=[C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[OH2:40]>>[CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH2:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][CH:17]([CH3:18])[C:19](=[O:20])[N:21]1[CH:22]([C:23](=[O:24])[OH:25])[CH2:26][CH:27]([S:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:28]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 498716Cyano-borohydrideHCID 562087Ethyl alpha-oxobenzenebutanoateHCID 178465282HCID 178465282, compound

Product 1

HCID 178471235HCID 178471235, compound

Sources & evidence

ORD record
ord-d85a001046b34558bc5e2a755320aaae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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