Acetic Acid → HCID 53915788, compound

HRID 161043Notes

Reaction equation

HRID 161043 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:37][C:38](=[O:39])[OH:40].[CH3:46][CH2:47][OH:48].[ClH:17].[NH2:18][OH:19].[Na+:45].[Na+:50].[O:1]1[CH2:2][CH2:3][CH:4]([CH2:5][CH2:6][C:7]([c:8]2[cH:9][n:10][cH:11][cH:12][cH:13]2)=[O:14])[CH2:15][CH2:16]1.[OH-:49].[OH:20][N:21]=[C:22]([CH2:23][CH2:24][CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1)[c:31]1[cH:32][n:33][cH:34][cH:35][cH:36]1.[Zn:51]>>[NH2:21][CH:22]([CH2:23][CH2:24][CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1)[c:31]1[cH:32][n:33][cH:34][cH:35][cH:36]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium ion2×HCID 961HydroxideHCID 23994ZincHCID 229922821-(3-Pyridinyl)-3-(tetrahydro-2H-pyran-4-yl)-1-propanoneHCID 85974475HCID 85974475, compound

Product 1

HCID 53915788HCID 53915788, compound

Sources & evidence

ORD record
ord-d86b704e93ff45d78e4463dad98fff8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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