Trifluoroacetic acid → HCID 86642921, compound

HRID 194516Notes

Reaction equation

HRID 194516 reaction equation
[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[N+:37]([O-:38])(=[O:39])[C:40]([CH2:41][CH2:42][C:43](=[O:44])[OH:45])([CH3:46])[c:47]1[cH:48][c:49]2[cH:50][cH:51][c:52]([O:61][CH:62]3[CH2:63][CH2:64][CH:65]([C:68]([F:69])([F:70])[F:71])[CH2:66][CH2:67]3)[c:53]([C:57]([F:58])([F:59])[F:60])[c:54]2[cH:55][cH:56]1.[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][cH:9][c:10]([O:11][CH:12]3[CH2:13][CH2:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH2:20][CH2:21]3)[cH:22]2)[cH:23]1)([CH3:24])[CH2:25][CH2:26][C:27]([OH:28])=[O:29]>>[NH2:37][C:40]([CH2:41][CH2:42][C:43](=[O:44])[OH:45])([CH3:46])[c:47]1[cH:48][c:49]2[cH:50][cH:51][c:52]([O:61][CH:62]3[CH2:63][CH2:64][CH:65]([C:68]([F:69])([F:70])[F:71])[CH2:66][CH2:67]3)[c:53]([C:57]([F:58])([F:59])[F:60])[c:54]2[cH:55][cH:56]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 67411796HCID 67411796, compoundHCID 86642920HCID 86642920, compound

Product 1

HCID 86642921HCID 86642921, compound

Sources & evidence

ORD record
ord-a934096789974312bd3caaee05c53bb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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