Citric Acid → HCID 178459982, compound

HRID 133973Notes

Reaction equation

HRID 133973 reaction equation
[C:1]([CH2:2][CH3:3])(=[O:4])[N:5]1[C:6]2([O:7][c:8]3[c:9]([cH:12][cH:13][cH:14][cH:15]3)[C:10]1=[O:11])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2.[C:27]([O:28][CH:31]1[CH:32]([CH:36]([CH2:37][O:38][SiH:39]([CH3:40])[CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[C:33](=[O:35])[NH:34]1)(=[O:29])[CH3:30].[CH2:22]([Mg+:23])[CH2:24][CH2:25][CH3:26].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cl-:21].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH:46][C:47]([CH2:48][C:49]([C:50](=[O:51])[OH:52])([CH2:53][C:54](=[O:55])[OH:56])[OH:57])=[O:58]>>[C:1]([CH:2]([CH3:3])[CH:31]1[CH:32]([CH:36]([CH2:37][O:38][SiH:39]([CH3:40])[CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[C:33](=[O:35])[NH:34]1)(=[O:4])[N:5]1[C:6]2([O:7][c:8]3[c:9]([cH:12][cH:13][cH:14][cH:15]3)[C:10]1=[O:11])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2

Participants

8

Reactant 7

HCID 311Citric AcidHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 158376183-propionyl-spiro[2,3-dihydro-4H-1,3-benzoxazine-2,1'-cyclohexan]-4-oneHCID 173232100[3-(1-Dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetateHCID 178448190HCID 178448190, compound

Product 1

HCID 178459982HCID 178459982, compound

Sources & evidence

ORD record
ord-1d7fa5e31044443d8bac2f9ec22cf76e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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