Trifluoroacetic acid → HCID 70989702, compound

HRID 185377Notes

Reaction equation

[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:61][CH3:62])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[c:34]([F:60])[c:35](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH2:47][CH:48]([CH3:59])[N:49]([C:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:36][cH:37][cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[F:63][C:64]([F:65])([F:66])[C:67]([OH:68])=[O:69]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:61][CH3:62])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[c:34]([F:60])[c:35](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH2:47][CH:48]([CH3:59])[NH:49][CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:36][cH:37][cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

Reactant 3

HCID 6422Trifluoroacetic acid

HCID 8028Tetrahydrofuran

HCID 178437501HCID 178437501, compound

Product 1

HCID 70989702HCID 70989702, compound

Sources & evidence

ORD record: ord-37d5b05488b34863a7415c370ff23593
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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