Acetate → HCID 67201826, compound

HRID 2333008Notes

Reaction equation

HRID 2333008 reaction equation
[C:28]([O-:29])(=[O:30])[CH3:31].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:18]([c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)=[O:27].[NH2+:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Na+:38].[Na+:39].[O-:40][S:41](=[O:42])(=[O:43])[O-:44].[OH:1][c:2]1[c:3]([C:8]([CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:4][cH:5][cH:6][cH:7]1>>[OH:1][c:2]1[c:3]([C:8]([C:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[CH:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)=[O:17])[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 1140TolueneHCID 312444-MethoxybenzaldehydeHCID 6379691-PiperidiniumHCID 16125894Tert-butyl 3-(2-hydroxyphenyl)-3-oxopropanoate

Product 1

HCID 67201826HCID 67201826, compound

Sources & evidence

ORD record
ord-4afcc1257bc9403d9c3a05c12e7cd3fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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