Ethanol → 2-Butenedioic acid

HRID 2143239Notes

Reaction equation

HRID 2143239 reaction equation
[C:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])(=[O:31])[Cl:32].[C:33]([CH:34]=[CH:35][C:36](=[O:37])[O-:38])(=[O:39])[O-:40].[CH3:52][CH2:53][OH:54].[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][OH:18])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:19][cH:20]1.[OH:41][C:42]([CH:43]=[CH:44][C:45](=[O:46])[OH:47])=[O:48]>>[C:33]([CH:34]=[CH:35][C:36](=[O:37])[OH:38])(=[O:39])[OH:40].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][C:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])=[O:31])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:19][cH:20]1

Participants

8

Reactant 6

HCID 702EthanolHCID 7232-Butenedioic acidHCID 6344DichloromethaneHCID 66982Decanoyl chlorideHCID 164547ButenedioateHCID 153849663-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propan-1-ol

Product 2

HCID 7232-Butenedioic acidHCID 21960040HCID 21960040, compound

Sources & evidence

ORD record
ord-cb859adc892c410e85ae8d44c9d2bd3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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