Acetic Acid → HCID 57501772, compound

HRID 138743Notes

Reaction equation

HRID 138743 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:35][C:36](=[O:37])[OH:38].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11](=[O:34])[n:12](-[c:17]4[cH:18][c:19]([O:32][CH3:33])[c:20]([CH2:23][CH2:24][CH:25]([O:26][CH2:30][CH3:31])[O:27][CH2:28][CH3:29])[cH:21][cH:22]4)[cH:13][cH:14][c:15]3[n:16]2)[cH:6][cH:7]1.[OH2:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11](=[O:34])[n:12](-[c:17]4[cH:18][c:19]([O:32][CH3:33])[c:20]([CH2:23][CH2:24][CH:25]=[O:26])[cH:21][cH:22]4)[cH:13][cH:14][c:15]3[n:16]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 57501771HCID 57501771, compound

Product 1

HCID 57501772HCID 57501772, compound

Sources & evidence

ORD record
ord-ad7e00a434454ed8813528379b8e8db0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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