Acetic Acid → HCID 10154957, compound

HRID 683310Notes

Reaction equation

HRID 683310 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:33][C:34](=[O:35])[OH:36].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([C:11](=[O:12])[CH:13]2[CH2:14][CH2:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[CH2:23][CH2:24][CH2:25][O:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][O:32]2)[cH:8][cH:9]1.[OH2:42]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([C:11](=[O:12])[CH:13]2[CH2:14][CH2:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[CH2:23][CH2:24][CH2:25][OH:26])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 10203347HCID 10203347, compound

Product 1

HCID 10154957HCID 10154957, compound

Sources & evidence

ORD record
ord-dd4b9258a7a14dada8d3438b7c7a5903
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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