Chloride → Ethyl hydroxy-(2-isopropoxytetrahydro-3-furanyl)acetate

HRID 2318570Notes

Reaction equation

HRID 2318570 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[C:4]([CH:5]=[O:6])(=[O:7])[O:8][CH2:9][CH3:10].[CH2:11]1[CH2:12][CH:13]=[CH:14][O:15]1.[CH3:39][CH:40]([CH3:41])[O-:42].[CH3:43][CH:44]([CH3:45])[O-:46].[CH3:47][CH:48]([CH3:49])[O-:50].[CH3:51][CH:52]([CH3:53])[O-:54].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:16]([CH3:17])([CH3:18])[OH:19].[Cl-:34].[Cl-:35].[Cl-:36].[Cl-:37].[Cl:1][CH2:2][Cl:3].[K+:24].[K+:25].[OH2:33].[OH:26][CH2:27][CH2:28][NH:29][CH2:30][CH2:31][OH:32].[Ti+4:38].[Ti+4:55]>>[C:4]([CH:5]([OH:6])[CH:13]1[CH2:12][CH2:11][O:15][CH:14]1[O:19][CH:16]([CH3:17])[CH3:18])(=[O:7])[O:8][CH2:9][CH3:10]

Participants

13

Reactant 12

HCID 312Chloride4×HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 3776IsopropanolHCID 6344DichloromethaneHCID 8113DiethanolamineHCID 19660Carbonate IonHCID 70211Ethyl oxoacetateHCID 709342,3-DihydrofuranHCID 114942Titanium cation (4+)2×HCID 3260420Isopropanolate4×

Product 1

HCID 25242000Ethyl hydroxy-(2-isopropoxytetrahydro-3-furanyl)acetate

Sources & evidence

ORD record
ord-603d49ff9de34467802fb3dd5e7cb9db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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