Acetic Acid → HCID 178490754, compound

HRID 135367Notes

Reaction equation

HRID 135367 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([CH:32]=[O:33])[cH:34][cH:35]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[F:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]2[NH:7][C:8](=[O:21])[O:9][CH:10]2[CH:11]2[NH:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[CH2:20]2)[cH:22][c:23]([F:25])[cH:24]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]2[NH:7][C:8](=[O:21])[O:9][CH:10]2[CH:11]2[N:12]([CH2:32][c:31]3[cH:30][cH:29][c:28]([O:27][CH3:26])[cH:35][cH:34]3)[CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[CH2:20]2)[cH:22][c:23]([F:25])[cH:24]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 312444-MethoxybenzaldehydeHCID 178517675HCID 178517675, compound

Product 1

HCID 178490754HCID 178490754, compound

Sources & evidence

ORD record
ord-303ef113632b44c59a2e3a0f33970dc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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