2,2,2-Trifluoroethanethiol → HCID 58372853, compound

HRID 204045Notes

Reaction equation

HRID 204045 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8]([O:16][c:17]2[c:18]([CH:26]=[O:27])[cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)=[O:28].[CH2:29]([O:30][C:31](=[O:32])[CH2:33][c:34]1[cH:35][c:36]([C:37]([F:38])([F:39])[F:40])[cH:41][c:42]([O:43][c:44]2[cH:45][cH:46][c:47]([N+:48]([O-:49])=[O:50])[cH:51][c:52]2[CH2:53][OH:54])[cH:55]1)[CH3:56].[F:57][C:58]([CH2:59][SH:60])([F:61])[F:62]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8]([O:16][c:17]2[c:18]([CH2:26][S:60][CH2:59][C:58]([F:57])([F:61])[F:62])[cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)=[O:28]

Participants

4

Reactant 3

HCID 41339242,2,2-TrifluoroethanethiolHCID 58372805HCID 58372805, compoundHCID 58372860[3-(2-Formyl-4-nitro-phenoxy)-5-trifluoromethyl-phenyl]acetic acid ethyl ester

Product 1

HCID 58372853HCID 58372853, compound

Sources & evidence

ORD record
ord-e090ab2d12614ed9830580b55591cd0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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