Trifluoroacetic acid → HCID 178480471, compound

HRID 312798Notes

Reaction equation

HRID 312798 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[N:29]3[CH2:30][CH2:31][N:32]([CH3:36])[CH2:33][CH2:34][CH2:35]3)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:37][cH:38]1.[CH3:54][O:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45].[OH:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53]>>[SH:8][CH:9]1[CH2:10][CH:11]([C:27](=[O:28])[N:29]2[CH2:30][CH2:31][N:32]([CH3:36])[CH2:33][CH2:34][CH2:35]2)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)[CH2:13]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 62406Trifluoromethanesulfonic acidHCID 178491666HCID 178491666, compound

Product 1

HCID 178480471HCID 178480471, compound

Sources & evidence

ORD record
ord-6c9ea65ca8de44e1a6f94f076c5f964c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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