Trifluoroacetic acid → HCID 178507889, compound

HRID 683738Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:8][CH:9]1[CH2:10][N:11]([CH2:14][CH:15]2[N:16]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]3)[CH2:17][CH:18]([S:20][C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:60][O:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[OH:53][C:54]([C:55]([F:56])([F:57])[F:58])=[O:59]>>[NH2:8][CH:9]1[CH2:10][N:11]([CH2:14][CH:15]2[N:16]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]3)[CH2:17][CH:18]([S:20][C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:19]2)[CH2:12][CH2:13]1

Participants

Reactant 4

HCID 6422Trifluoroacetic acid

HCID 7519Anisole

HCID 8857Ethyl Acetate

HCID 178452862HCID 178452862, compound

Product 1

HCID 178507889HCID 178507889, compound

Sources & evidence

ORD record: ord-901bc5a2be5345d3a6e847520bed4fde
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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