Acetate → HCID 21913531, compound

HRID 161479Notes

Reaction equation

HRID 161479 reaction equation
[CH2:6]([CH2:7][CH2:8][CH3:9])[c:10]1[n:11]([CH2:28][CH2:29][O:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:12]2[c:13]([c:14]([O:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:15][c:16]([CH3:19])[c:17]2[CH3:18])[n:27]1.[CH3:2][C:3](=[O:4])[O-:5].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[NH4+:1]>>[NH2:1][c:14]1[c:13]2[c:12]([n:11]([CH2:28][CH2:29][O:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:10]([CH2:6][CH2:7][CH2:8][CH3:9])[n:27]2)[c:17]([CH3:18])[c:16]([CH3:19])[n:15]1

Participants

5

Reactant 4

HCID 175AcetateHCID 223AmmoniumHCID 8857Ethyl AcetateHCID 21912905HCID 21912905, compound

Product 1

HCID 21913531HCID 21913531, compound

Sources & evidence

ORD record
ord-f519895ebe6e4098a6e0db580d28f1a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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