Tetrahydrofuran → Acat-IN-2

HRID 1550126Notes

Reaction equation

HRID 1550126 reaction equation
[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][S:17]([NH:18][C:19]([CH2:20][c:21]2[c:22]([CH:33]([CH3:34])[CH3:35])[cH:23][c:24]([CH:30]([CH3:31])[CH3:32])[cH:25][c:26]2[CH:27]([CH3:28])[CH3:29])=[O:36])(=[O:37])=[O:38])[c:6]([CH:13]([CH3:14])[CH3:15])[cH:7][c:8]([N+:10]([O-:11])=[O:12])[cH:9]1.[H:39][H:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][S:17]([NH:18][C:19]([CH2:20][c:21]2[c:22]([CH:33]([CH3:34])[CH3:35])[cH:23][c:24]([CH:30]([CH3:31])[CH3:32])[cH:25][c:26]2[CH:27]([CH3:28])[CH3:29])=[O:36])(=[O:37])=[O:38])[c:6]([CH:13]([CH3:14])[CH3:15])[cH:7][c:8]([NH2:10])[cH:9]1

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10209327HCID 10209327, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 10142595Acat-IN-2

Sources & evidence

ORD record
ord-7922f3aac87e4d7ca787576d8ad78c4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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