2-Butenedioic acid → HCID 20458234, compound

HRID 138597Notes

Reaction equation

HRID 138597 reaction equation
[Al+3:33].[C:1]([OH:2])(=[O:3])[CH:4]=[CH:5][C:6]([OH:7])=[O:8].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[F:9][C:10]([CH2:11][N:12]=[C:13]([NH:14][c:15]1[s:16][cH:17][c:18]([CH:20]2[CH2:21][CH:22]([C:25](=[O:26])[O:27][CH3:28])[CH2:23][CH2:24]2)[n:19]1)[NH2:29])([F:30])[F:31].[H-:32].[H-:35].[H-:36].[H-:37].[H-:45].[Li+:34].[Na+:38].[Na+:39].[O-:40][S:41](=[O:42])(=[O:43])[O-:44]>>[F:9][C:10]([CH2:11][N:12]=[C:13]([NH:14][c:15]1[s:16][cH:17][c:18]([CH:20]2[CH2:21][CH:22]([CH2:25][OH:26])[CH2:23][CH2:24]2)[n:19]1)[NH2:29])([F:30])[F:31]

Participants

9

Reactant 8

HCID 7232-Butenedioic acidHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride5×HCID 20202830HCID 20202830, compound

Product 1

HCID 20458234HCID 20458234, compound

Sources & evidence

ORD record
ord-209f0ab223d146a48a12d560e7908646
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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