Acetic Acid → Methyl 3-[4-(azetidine-1-carbonyl)-2-chlorophenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoate

HRID 1138664Notes

Reaction equation

HRID 1138664 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][Si:41]([CH:42]=[N+:43]=[N-:44])([CH3:45])[CH3:46].[CH3:47][C:48](=[O:49])[OH:50].[CH3:51][OH:52].[K+:38].[K+:39].[N:20]1([C:24](=[O:25])[c:26]2[cH:27][c:28]([Cl:33])[c:29]([F:32])[cH:30][cH:31]2)[CH2:21][CH2:22][CH2:23]1.[OH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH:13]2[C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:11]1>>[O:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH:13]2[C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:11]1)[c:29]1[c:28]([Cl:33])[cH:27][c:26]([C:24]([N:20]2[CH2:21][CH2:22][CH2:23]2)=[O:25])[cH:31][cH:30]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 19660Carbonate IonHCID 167693TrimethylsilyldiazomethaneHCID 59346868(Azetidin-1-yl)(3-chloro-4-fluorophenyl)methanoneHCID 66971906Methyl 3-hydroxy-5-(1-methyl-2-oxopyrrolidin-3-yloxy)benzoate

Product 1

HCID 67485817Methyl 3-[4-(azetidine-1-carbonyl)-2-chlorophenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoate

Sources & evidence

ORD record
ord-4aa6ad315ceb4b2894fd45901e2c988a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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