Acetate → HCID 178489125, compound

HRID 1211768Notes

Reaction equation

HRID 1211768 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([NH2:18])[cH:10][c:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH2:45]([OH:46])[CH3:47].[CH3:24][O:25][c:26]1[cH:27][c:28]([C:34]2=[N:38][NH:37][C:36](=[O:39])[CH2:35]2)[cH:29][cH:30][c:31]1[O:32][CH3:33].[CH3:41][C:42](=[O:43])[O-:44].[ClH:23].[N:19]([O-:20])=[O:21].[Na+:22].[Na+:40].[OH2:48]>>[Br:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([NH:18][N:19]=[C:35]2[C:34]([c:28]3[cH:27][c:26]([O:25][CH3:24])[c:31]([O:32][CH3:33])[cH:30][cH:29]3)=[N:38][NH:37][C:36]2=[O:39])[cH:10][c:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 152835193-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-oneHCID 223532056-(3-Bromo-propoxy)-biphenyl-3-ylamine

Product 1

HCID 178489125HCID 178489125, compound

Sources & evidence

ORD record
ord-4f77e4b04c19426192f1b1dcbb5108e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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