Acetic Acid → 1-[2-[3-[5-[3-Cyano-4-(2-methylpropyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-ethylphenyl]ethyl]pyrrolidine-2-carboxylic acid

HRID 1134183Notes

Reaction equation

HRID 1134183 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[C:41]([BH3-:42])#[N:43].[CH2:1]([CH3:2])[c:3]1[c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([CH2:25][CH:26]([CH3:27])[CH3:28])[c:21]([C:22]#[N:23])[cH:24]3)[s:16]2)[cH:5][cH:6][cH:7][c:8]1[CH2:9][CH:10]=[O:11].[CH3:45][CH2:46][OH:47].[Na+:44].[OH:29][C:30](=[O:31])[CH:32]1[CH2:33][CH2:34][CH2:35][NH:36]1>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([CH2:25][CH:26]([CH3:27])[CH3:28])[c:21]([C:22]#[N:23])[cH:24]3)[s:16]2)[cH:5][cH:6][cH:7][c:8]1[CH2:9][CH2:10][N:36]1[CH:32]([C:30]([OH:29])=[O:31])[CH2:33][CH2:34][CH2:35]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 614proline dl-formHCID 702EthanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 86659001HCID 86659001, compound

Product 1

HCID 674664361-[2-[3-[5-[3-Cyano-4-(2-methylpropyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-ethylphenyl]ethyl]pyrrolidine-2-carboxylic acid

Sources & evidence

ORD record
ord-ab0ebce0501d4ca6b8bc755f4d6642ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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