Acetate → HCID 53681071, compound

HRID 1542440Notes

Reaction equation

HRID 1542440 reaction equation
[C:16](#[N:17])[CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23].[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][C:12](=[O:15])[CH2:13][CH2:14]1.[CH3:25][C:26](=[O:27])[O-:28].[CH3:29][C:30](=[O:31])[OH:32].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[NH4+:24].[OH2:45].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][C:12](=[C:18]([C:16]#[N:17])[C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:13][CH2:14]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 241BenzeneHCID 962WaterHCID 7764Ethyl cyanoacetateHCID 8857Ethyl AcetateHCID 90583N-Benzoyl-4-piperidone

Product 1

HCID 53681071HCID 53681071, compound

Sources & evidence

ORD record
ord-a8d3bd0ee1e44c069f2de80894dda76f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…