Ethanol → HCID 33247581, compound

HRID 690971Notes

Reaction equation

HRID 690971 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][Br:10])[cH:11][cH:12]1.[C:22]([CH3:23])(=[O:24])[NH:25][CH:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[C:32](=[O:33])[O:34][CH2:35][CH3:36].[CH3:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:38][CH2:39][OH:40].[H-:20].[Na+:21].[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][CH2:23][C:22](=[O:24])[NH:25][CH:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 14041Acetamidomalonic acid diethyl esterHCID 878361-(Bromomethyl)-4-(1,1-dimethylethyl)benzeneHCID 166653Hydride

Product 1

HCID 33247581HCID 33247581, compound

Sources & evidence

ORD record
ord-3412488143f14d1ba3af95b17c60f1b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…