Acetic Acid → HCID 14003461, compound

HRID 1558495Notes

Reaction equation

HRID 1558495 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][CH2:44][OH:45].[NH2:1][CH:2]1[C:3](=[O:23])[N:4]([CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH:5]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:6][CH2:7][CH2:8]1.[O:24]=[C:25]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[NH:1]([CH:2]1[C:3](=[O:23])[N:4]([CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH:5]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:6][CH2:7][CH2:8]1)[CH:25]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 562087Ethyl alpha-oxobenzenebutanoateHCID 14003453HCID 14003453, compound

Product 1

HCID 14003461HCID 14003461, compound

Sources & evidence

ORD record
ord-f4eb9b2d13d945e98188df8ebef896b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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