Acetic Acid → HCID 178516666, compound

HRID 1238020Notes

Reaction equation

HRID 1238020 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[N+:22](=[O:23])([O-:24])[c:25]1[c:26]([S:31][Cl:32])[cH:27][cH:28][cH:29][cH:30]1.[SH:1][CH:2]1[CH2:3][C:4](=[O:21])[N:5]([CH2:7][c:8]2[cH:9][cH:10][c:11]([O:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[CH2:6]1>>[S:1]([CH:2]1[CH2:3][C:4](=[O:21])[N:5]([CH2:7][c:8]2[cH:9][cH:10][c:11]([O:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:12][cH:13]2)[CH2:6]1)[S:31][c:26]1[c:25]([N+:22](=[O:23])[O-:24])[cH:30][cH:29][cH:28][cH:27]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 243192-Nitrobenzenesulfenyl chlorideHCID 97963281-[(4-Phenoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one

Product 1

HCID 178516666HCID 178516666, compound

Sources & evidence

ORD record
ord-78f7b7adfa634590bba128747d2ff643
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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