Acetate → HCID 66981796, compound

HRID 2134146Notes

Reaction equation

HRID 2134146 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([O:24][CH:25]([CH3:26])[CH3:27])[c:20]([C:21]#[N:22])[cH:23]3)[s:15]2)[cH:5][cH:6][cH:7][c:8]1[CH:9]=[O:10].[CH3:28][C:29](=[O:30])[OH:31].[CH3:33][C:34](=[O:35])[O-:36].[CH3:45][CH2:46][OH:47].[NH:37]1[CH2:38][CH:39]([C:41](=[O:42])[O:43][CH3:44])[CH2:40]1.[Na+:32]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([O:24][CH:25]([CH3:26])[CH3:27])[c:20]([C:21]#[N:22])[cH:23]3)[s:15]2)[cH:5][cH:6][cH:7][c:8]1[CH2:9][N:37]1[CH2:38][CH:39]([C:41](=[O:42])[O:43][CH3:44])[CH2:40]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 20132751Methyl azetidine-3-carboxylateHCID 866590075-[5-(2-Ethyl-3-formylphenyl)-1,3-thiazol-2-yl]-2-[(1-methylethyl)oxy]benzonitrile

Product 1

HCID 66981796HCID 66981796, compound

Sources & evidence

ORD record
ord-e72f6ea4d7064dc7aee2e07f8bd14fef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…