Acetate → Methyl 1-{2-[3-(2-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]ethyl}-3-azetidinecarboxylate

HRID 85811Notes

Reaction equation

HRID 85811 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](-[c:12]2[cH:13][n:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([O: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].[CH3:29][C:30](=[O:31])[OH:32].[CH3:34][C:35](=[O:36])[O-:37].[CH3:46][CH2:47][OH:48].[NH:38]1[CH2:39][CH:40]([C:42](=[O:43])[O:44][CH3:45])[CH2:41]1.[Na+:33]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:12]2[cH:13][n:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([O: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:38]1[CH2:39][CH:40]([C:42](=[O:43])[O:44][CH3:45])[CH2:41]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 20132751Methyl azetidine-3-carboxylateHCID 866590085-{5-[2-Ethyl-3-(2-oxoethyl)phenyl]-1,3-thiazol-2-yl}-2-[(1-methylethyl)oxy]benzonitrile

Product 1

HCID 66981971Methyl 1-{2-[3-(2-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]ethyl}-3-azetidinecarboxylate

Sources & evidence

ORD record
ord-e7043296e778458faab14980986460c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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