Acetic Acid → HCID 15077393, compound

HRID 1117155Notes

Reaction equation

HRID 1117155 reaction equation
[Br:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]([c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26]1)[S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]1.[C:2](#[N:3])[CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][CH2:44][OH:45].[CH3:46][C:47](=[O:48])[OH:49].[Na:1]>>[C:2](#[N:3])[CH:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[CH2:11][CH2:12][CH2:13][CH2:14][N:15]([c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26]1)[S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 7764Ethyl cyanoacetateHCID 8857Ethyl AcetateHCID 5360545SodiumHCID 15077392HCID 15077392, compound

Product 1

HCID 15077393HCID 15077393, compound

Sources & evidence

ORD record
ord-687eaf6e5bf64940bf6d9e094d2cfc80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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