Acetic Acid → 3-Morpholinecarbonitrile, 5-(4-methoxyphenyl)-5-methyl-

HRID 1561312Notes

Reaction equation

HRID 1561312 reaction equation
[Al+3:2].[C:37](=[O:38])([OH:39])[O-:40].[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([C:21]2([CH3:28])[NH:22][C:23](=[O:27])[CH2:24][O:25][CH2:26]2)[cH:19][cH:20]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:7][CH2:8][O:9][C:10](=[O:11])[CH3:12].[H-:1].[H-:4].[H-:5].[H-:6].[K:29][C:30]#[N:31].[Li+:3].[Na+:41].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1>>[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([C:21]2([CH3:28])[NH:22][CH:23]([C:30]#[N:31])[CH2:24][O:25][CH2:26]2)[cH:19][cH:20]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 66781699HCID 66781699, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 667820763-Morpholinecarbonitrile, 5-(4-methoxyphenyl)-5-methyl-

Sources & evidence

ORD record
ord-0f5e56abc99245df8129dbf3e40e48ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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