Trifluoroacetic acid → HCID 178491633, compound

HRID 1211165Notes

Reaction equation

HRID 1211165 reaction equation
[C:63]([CH3:64])([CH3:65])([CH3:66])[O:67][C:68]([CH2:69][c:70]1[cH:71][c:72]([O:77][CH3:78])[c:73]([NH2:76])[cH:74][cH:75]1)=[O:79].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:32])[OH:33])[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[c:48]1([P:49]([Cl:50])([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)=[O:57])[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:16]([cH:17]1)[NH:15][C:14](=[O:18])[C:13]21[CH:19]([CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:20][CH:21]([C:31](=[O:32])[NH:76][c:73]2[c:72]([O:77][CH3:78])[cH:71][c:70]([CH2:69][C:68]([O:67][C:63]([CH3:64])([CH3:65])[CH3:66])=[O:79])[cH:75][cH:74]2)[CH:22]1[c:23]1[c:24]([F:30])[c:25]([Cl:29])[cH:26][cH:27][cH:28]1

Participants

6

Reactant 5

HCID 6422Trifluoroacetic acidHCID 73910Diphenylphosphinic chlorideHCID 81531DiisopropylethylamineHCID 22244730HCID 22244730, compoundHCID 66625245rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid

Product 1

HCID 178491633HCID 178491633, compound

Sources & evidence

ORD record
ord-e31a4db3b8d040c79b78fe15611b1e4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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