Ethanol → HCID 23356606, compound

HRID 2139216Notes

Reaction equation

HRID 2139216 reaction equation
[C:31]([O-:32])(=[O:33])[CH:34]=[CH:35][C:36]([O-:37])=[O:38].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][C:28]([Cl:29])=[O:30].[CH3:50][CH2:51][OH:52].[Cl:47][CH2:48][Cl:49].[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][NH2:17])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:18][cH:19]1.[OH:39][C:40]([CH:41]=[CH:42][C:43](=[O:44])[OH:45])=[O:46]>>[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][NH:17][C:28]([CH3:27])=[O:30])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 702EthanolHCID 7232-Butenedioic acidHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 8471TriethylamineHCID 164547ButenedioateHCID 146998572-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethan-1-amine

Product 1

HCID 23356606HCID 23356606, compound

Sources & evidence

ORD record
ord-c50020532fc642bc839b74be507e9496
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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