Trifluoroacetate → Trifluoroacetate

HRID 116027Notes

Reaction equation

HRID 116027 reaction equation
[CH2:46]([CH2:47][CH2:48][CH3:49])[c:50]1[cH:51][c:52]([CH3:59])[c:53]([N:56]=[C:57]=[O:58])[cH:54][cH:55]1.[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7].[OH:8][C:9]([C:10](=[O:11])[O:12][CH:13]1[CH2:14][N+:15]2([CH2:21][CH2:22][CH2:23][NH:24][C:25]([NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20]2)([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7].[OH:8][C:9]([C:10](=[O:11])[O:12][CH:13]1[CH2:14][N+:15]2([CH2:21][CH2:22][CH2:23][NH:24][C:57]([NH:56][c:53]3[c:52]([CH3:59])[cH:51][c:50]([CH2:46][CH2:47][CH2:48][CH3:49])[cH:55][cH:54]3)=[O:58])[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20]2)([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1

Participants

5

Reactant 3

HCID 84468TrifluoroacetateHCID 27356814-butyl-1-isocyanato-2-methylbenzeneHCID 11420915HCID 11420915, compound

Product 2

HCID 84468TrifluoroacetateHCID 11478784HCID 11478784, compound

Sources & evidence

ORD record
ord-0b2a3e7d86b3445caca64d80098aa9ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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