Tetrahydrofuran → 2-Butenedioic acid

HRID 1223013Notes

Reaction equation

HRID 1223013 reaction equation
[Al+3:34].[C:39]([CH:40]=[CH:41][C:42](=[O:43])[O-:44])(=[O:45])[O-:46].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[N:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:18]2[CH2:19][CH2:20][N:21]([S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:22][CH2:23]2)[cH:6][cH:7]1.[H-:33].[H-:36].[H-:37].[H-:38].[Li+:35]>>[C:39]([CH:40]=[CH:41][C:42](=[O:43])[OH:44])(=[O:45])[OH:46].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:18]2[CH2:19][CH2:20][N:21]([S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:22][CH2:23]2)[cH:6][cH:7]1

Participants

8

Reactant 6

HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 164547ButenedioateHCID 166653Hydride4×HCID 19772006HCID 19772006, compound

Product 2

HCID 7232-Butenedioic acidHCID 19772099HCID 19772099, compound

Sources & evidence

ORD record
ord-e3215b4f6a084f5da7496697bf74d20a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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