Trifluoroacetic acid → HCID 178521492, compound

HRID 134158Notes

Reaction equation

HRID 134158 reaction equation
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[N:50](=[C:51]=[O:52])[c:53]1[cH:54][n:55][cH:56][cH:57][cH:58]1.[NH2:8][CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:35][CH2:36][CH:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:34])[CH:25]([OH:33])[CH:26]([NH:28][C:29]([CH2:30][OH:31])=[O:32])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1>>[NH:8]([CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:35][CH2:36][CH:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:34])[CH:25]([OH:33])[CH:26]([NH:28][C:29]([CH2:30][OH:31])=[O:32])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1)[C:51]([NH:50][c:53]1[cH:54][n:55][cH:56][cH:57][cH:58]1)=[O:52]

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 27604933-IsocyanatopyridineHCID 178507881HCID 178507881, compound

Product 1

HCID 178521492HCID 178521492, compound

Sources & evidence

ORD record
ord-34d789d495a14b97821529dfbedbdc75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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