Acetic Acid → HCID 22504018, compound

HRID 113879Notes

Reaction equation

HRID 113879 reaction equation
[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:52][CH2:53][CH2:54][CH2:55][CH3:56].[Cl-:29].[Cl:34][Cu:35].[Cl:57][CH2:58][Cl:59].[F:1][c:2]1[cH:3][c:4]([O:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[c:5]([NH2:8])[cH:6][cH:7]1.[Li+:30].[N:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28].[O:31]=[S:32]=[O:33].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[F:1][c:2]1[cH:3][c:4]([O:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[c:5]([S:32]([Cl:29])(=[O:31])=[O:33])[cH:6][cH:7]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 312ChlorideHCID 1119Sulfur DioxideHCID 6344DichloromethaneHCID 8003PentaneHCID 8857Ethyl AcetateHCID 10906Tert-Butyl nitriteHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 62652Cuprous chlorideHCID 22504195HCID 22504195, compound

Product 1

HCID 22504018HCID 22504018, compound

Sources & evidence

ORD record
ord-a9ab7b9527cc4949aeeec1a993997fbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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