Sodium ion → HCID 67111889, compound

HRID 679048Notes

Reaction equation

HRID 679048 reaction equation
[Br:22][CH2:23][c:24]1[cH:25][c:26]([F:48])[c:27](-[c:30]2[s:31][c:32]3[n:33][c:34]([C:39]4([c:42]5[cH:43][cH:44][cH:45][cH:46][cH:47]5)[CH2:40][CH2:41]4)[cH:35][cH:36][c:37]3[n:38]2)[cH:28][cH:29]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH2:7]([CH3:8])[O:9][C:10]([CH:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[NH:17][C:18]([CH3:19])=[O:20])=[O:21].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Na+:6].[OH2:49]>>[CH2:7]([CH3:8])[O:9][C:10]([C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])([NH:17][C:18]([CH3:19])=[O:20])[CH2:23][c:24]1[cH:25][c:26]([F:48])[c:27](-[c:30]2[s:31][c:32]3[n:33][c:34]([C:39]4([c:42]5[cH:43][cH:44][cH:45][cH:46][cH:47]5)[CH2:40][CH2:41]4)[cH:35][cH:36][c:37]3[n:38]2)[cH:28][cH:29]1)=[O:21]

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 14041Acetamidomalonic acid diethyl esterHCID 45749132-Methylpropan-2-olateHCID 67111838HCID 67111838, compound

Product 1

HCID 67111889HCID 67111889, compound

Sources & evidence

ORD record
ord-2f6bce6843514061ae945b811f789b04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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