Acetone → HCID 178465706, compound

HRID 2126285Notes

Reaction equation

HRID 2126285 reaction equation
[CH3:1][O:2][C:3]([CH:4]1[N:5]([C:9]([CH2:10][N:11]([CH:12]2[CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[CH2:20]2)[C:21]([CH:22]([NH:23][P:24](=[O:25])([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH3:40])=[O:41])=[O:42])[CH2:6][CH2:7][CH2:8]1)=[O:43].[CH3:46][C:47](=[O:48])[CH3:49].[Na+:45].[OH-:44].[OH2:50]>>[O:2]=[C:3]([CH:4]1[N:5]([C:9]([CH2:10][N:11]([CH:12]2[CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[CH2:20]2)[C:21]([CH:22]([NH:23][P:24](=[O:25])([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH3:40])=[O:41])=[O:42])[CH2:6][CH2:7][CH2:8]1)[OH:43]

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178498090HCID 178498090, compound

Product 1

HCID 178465706HCID 178465706, compound

Sources & evidence

ORD record
ord-0f39d97a8e7d4386aef95ab6b34b3c86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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