4-Amino-2,3,5,6-tetrafluorobenzoic acid → 1-[2-(4-Amino-2,3,5,6-tetrafluoro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide

HRID 106182Notes

Reaction equation

HRID 106182 reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][CH:18]2[CH:19]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[O:20][C:21](=[O:23])[CH2:22]2)=[O:32])[CH2:13][CH2:14][CH2:15]1)[CH3:33])[CH3:34].[NH2:35][c:36]1[c:37]([F:48])[c:38]([F:47])[c:39]([C:40]([OH:41])=[O:42])[c:43]([F:46])[c:44]1[F:45].[O:49]=[C:50]1[O:51][CH:52]([O:53][CH2:54][CH2:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[CH:62]([NH:63][C:64]([CH:65]2[CH2:66][CH2:67][CH2:68][N:69]2[C:70](=[O:71])[CH:72]([NH:73][C:74](=[O:75])[c:76]2[cH:77][cH:78][c:79]([NH2:80])[c:81]([Cl:82])[cH:83]2)[CH3:84])=[O:85])[CH2:86]1>>[O:5]=[C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][CH:18]2[CH:19]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[O:20][C:21](=[O:23])[CH2:22]2)=[O:32])[CH2:13][CH2:14][CH2:15]1)[CH3:33])[c:39]1[c:38]([F:47])[c:37]([F:48])[c:36]([NH2:35])[c:44]([F:45])[c:43]1[F:46]

Participants

4

Reactant 3

HCID 703454-Amino-2,3,5,6-tetrafluorobenzoic acidHCID 229775121-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (5-oxo-2-phenethyloxy-tetrahydro-furan-3-yl)-amideHCID 22977790{2-[2-(2-Benzyloxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl}-carbamic acid tert-butyl ester

Product 1

HCID 229774891-[2-(4-Amino-2,3,5,6-tetrafluoro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (2-benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide

Sources & evidence

ORD record
ord-b9de1318e3234e29a51eab1eac451dd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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