Ethanol → HCID 178523464, compound

HRID 124529

Reaction equation

HRID 124529 reaction equation
[C:44]([BH3-:45])#[N:46].[CH3:48][CH2:49][OH:50].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH:6]([C:7](=[O:8])[OH:9])[CH2:10][CH2:11][CH2:12]1)[CH2:13][CH2:14][CH:15]([CH2:16][NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[OH:28].[Na+:43].[Na+:47].[OH-:42].[OH2:51].[c:29]1([CH2:35][CH2:36][C:37]([C:38](=[O:39])[OH:40])=[O:41])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH:6]([C:7](=[O:8])[OH:9])[CH2:10][CH2:11][CH2:12]1)[CH2:13][CH2:14][CH:15]([CH2:16][NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[OH:28])[CH:37]([CH2:36][CH2:35][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[C:38](=[O:39])[OH:40]

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 697322-Oxo-4-phenylbutyric acidHCID 498716Cyano-borohydrideHCID 178511058HCID 178511058, compound

Product 1

HCID 178523464HCID 178523464, compound

Sources & evidence

ORD record
ord-d418a9e7f0ae4b61935e931a360ca106
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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