Toluene → 2-Hydroxy-3-methyl-4-oxo-4-(2-phenyl-thiazol-5-yl)-butyric Acid Ethyl Ester

HRID 1541412Notes

Reaction equation

HRID 1541412 reaction equation
[C:26]([CH:27]=[O:28])(=[O:29])[O:30][CH2:31][CH3:32].[CH3:16][Si:17]([N-:18][Si:19]([CH3:20])([CH3:21])[CH3:22])([CH3:23])[CH3:24].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[Cl:57][Ti+3:58].[Li+:25].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[c:1]1(-[c:7]2[s:8][c:9]([C:12]([CH2:13][CH3:14])=[O:15])[cH:10][n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[s:8][c:9]([C:12]([CH:13]([CH3:14])[CH:27]([C:26](=[O:29])[O:30][CH2:31][CH3:32])[OH:28])=[O:15])[cH:10][n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 70211Ethyl oxoacetateHCID 3260420Isopropanolate3×HCID 3280088Npc316347HCID 5325589Chlorotitanium(3+)HCID 98559161-(2-Phenyl-thiazol-5-yl)-propan-1-one

Product 1

HCID 99015872-Hydroxy-3-methyl-4-oxo-4-(2-phenyl-thiazol-5-yl)-butyric Acid Ethyl Ester

Sources & evidence

ORD record
ord-c190de285694479b9e56711b15103155
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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