Acetic Acid → HCID 178421739, compound

HRID 1116204Notes

Reaction equation

HRID 1116204 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH2:44]([Cl:45])[Cl:46].[CH3:1][O-:2].[CH3:25][O:26][C:27](=[O:28])[C:29]([O:30][CH3:31])=[O:32].[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][OH:38].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:4][C:5]12[C:6](=[O:24])[CH2:7][CH2:8][CH:9]1[CH:10]1[CH2:11][CH2:12][C:13]3=[CH:14][C:15](=[O:23])[CH:16]=[CH:17][C:18]3([CH3:19])[C:20]1=[CH:21][CH2:22]2.[Na+:3].[OH2:47]>>[CH3:4][C:5]12[C:6](=[O:24])[C:7](=[CH2:25])[CH2:8][CH:9]1[CH:10]1[CH2:11][CH2:12][C:13]3=[CH:14][C:15](=[O:23])[CH:16]=[CH:17][C:18]3([CH3:19])[C:20]1=[CH:21][CH2:22]2

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11120Dimethyl oxalateHCID 3826051MethoxideHCID 19035759HCID 19035759, compound

Product 1

HCID 178421739HCID 178421739, compound

Sources & evidence

ORD record
ord-f8f13cbad3274cada72a45d88d8b0eb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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