Phenyl isocyanate → Trifluoroacetate

HRID 1207387Notes

Reaction equation

HRID 1207387 reaction equation
[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7].[O:46]=[C:47]=[N:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH:8][C:9]([C:10](=[O:11])[O:12][CH:13]1[CH2:14][N+:15]2([CH2:21][CH2:22][NH:23][S:24]([c:25]3[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]3)(=[O:32])=[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][NH:23][C:47](=[O:46])[NH:48][c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[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 7672Phenyl isocyanateHCID 84468TrifluoroacetateHCID 11318608HCID 11318608, compound

Product 2

HCID 84468TrifluoroacetateHCID 178523403HCID 178523403, compound

Sources & evidence

ORD record
ord-bedc02b4fb3c4082a0596125eb565f4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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