3,4-Dimethylphenol → 1-(diphenylmethyl)-6-fluoro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydro-2H-indol-2-one

HRID 691052Notes

Reaction equation

HRID 691052 reaction equation
[CH3:11][c:12]1[c:13]([CH3:14])[cH:15][c:16]([OH:17])[cH:18][cH:19]1.[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][c:7]([OH:10])[cH:8][cH:9]2.[c:20]1([CH:26]([N:27]2[C:28](=[O:38])[C:29](=[O:37])[c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][c:35]32)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1.[c:45]1([CH:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[N:53]2[c:54]3[c:55]([cH:56][cH:57][cH:58][cH:59]3)[C:60](=[O:61])[C:62]2=[O:63])[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][c:7]([OH:10])[c:8]([C:29]1([OH:37])[C:28](=[O:38])[N:27]([CH:26]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:35]3[c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34]3)[cH:9]2

Participants

5

Reactant 4

HCID 72493,4-DimethylphenolHCID 19692771-(diphenylmethyl)-1H-indole-2,3-dioneHCID 122365402,3-Dihydro-1-benzofuran-6-olHCID 673578121-(diphenylmethyl)-6-fluoro-1H-indole-2,3-dione

Product 1

HCID 673573711-(diphenylmethyl)-6-fluoro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydro-2H-indol-2-one

Sources & evidence

ORD record
ord-7059abccb859456aa072f8b3b0aa2b16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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