Trifluoroacetic acid → 1-methyl-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-spiro[furo[3,2-g][1,4]benzoxazine-8,3'-indol]-2'(1'H)-one

HRID 687148Notes

Reaction equation

HRID 687148 reaction equation
[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH:8][c:9]1[cH:10][c:11]2[c:12]([cH:18][c:19]1[CH:20]1[C:21](=[O:39])[N:22]([CH2:29][c:30]3[o:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]31)[N:13]([CH3:17])[CH2:14][CH2:15][O:16]2.[c:40]1([CH:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[N:48]2[c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[CH:55]([c:56]3[cH:57][c:58]([CH3:59])[c:60]([O:61][CH3:62])[cH:63][c:64]3[OH:65])[C:66]2=[O:67])[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[CH2:2]1[O:8][c:9]2[cH:10][c:11]3[c:12]([cH:18][c:19]2[C:20]12[C:21](=[O:39])[N:22]([CH2:29][c:30]1[o:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][c:28]12)[N:13]([CH3:17])[CH2:14][CH2:15][O:16]3

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 673563761-(diphenylmethyl)-3-(2-hydroxy-4-methoxy-5-methylphenyl)-1,3-dihydro-2H-indol-2-oneHCID 866421933-(7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

Product 1

HCID 461955661-methyl-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-spiro[furo[3,2-g][1,4]benzoxazine-8,3'-indol]-2'(1'H)-one

Sources & evidence

ORD record
ord-99aea884c6b9407e80dd03cfb3ec3954
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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