Acetate → HCID 21488688, compound

HRID 314978Notes

Reaction equation

HRID 314978 reaction equation
[CH3:38][C:39](=[O:40])[O-:41].[CH3:44][CH2:45][OH:46].[H:42][H:43].[NH4+:37].[c:1]1([N:7]2[N:8]=[C:9]([NH:13][C:14]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[S:32](=[O:33])(=[O:34])[OH:35])=[O:36])[CH2:10][C:11]2=[O:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([N:7]2[N:8]=[C:9]([NH:13][C:14]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[S:32](=[O:33])(=[O:34])[OH:35])=[O:36])[CH:10]([CH3:38])[C:11]2=[O:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 175AcetateHCID 223AmmoniumHCID 702EthanolHCID 21488689HCID 21488689, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 21488688HCID 21488688, compound

Sources & evidence

ORD record
ord-2b91d12bbb284062894cfecef83c2d16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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