Acetic Acid → HCID 91224938, compound

HRID 2144114Notes

Reaction equation

HRID 2144114 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N+:17](=[O:18])[O-:19])[cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]1.[CH2:20]([CH3:21])[O:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28].[CH2:62]([Cl:63])[Cl:64].[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:35][C:36](=[O:37])[OH:38].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[K+:34].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N+:17](=[O:18])[O-:19])[cH:11][c:12]([CH:13]=[C:23]([O:22][CH2:20][CH3:21])[C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:15][cH:16]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 813Potassium CationHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 69955Ethyl ethoxyacetateHCID 45749132-Methylpropan-2-olateHCID 70235544-(Benzyloxy)-3-nitrobenzaldehyde

Product 1

HCID 91224938HCID 91224938, compound

Sources & evidence

ORD record
ord-55f2a2b6c16748bca99c15feea399c04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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