Sesamol → ethyl [4-bromo-3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

HRID 161222Notes

Reaction equation

HRID 161222 reaction equation
[Br:17][c:18]1[c:19]2[c:23]([cH:24][cH:25][cH:26]1)[N:22]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[C:21](=[O:33])[C:20]2=[O:34].[CH:1]1([CH2:2][CH2:3][N:4]2[c:5]3[c:6]([cH:7][cH:8][cH:9][cH:10]3)[C:11](=[O:12])[C:13]2=[O:14])[CH2:15][CH2:16]1.[F:45][c:46]1[cH:47][c:48]([OH:53])[cH:49][cH:50][c:51]1[F:52].[O:35]1[c:36]2[cH:37][cH:38][c:39]([OH:40])[cH:41][c:42]2[O:43][CH2:44]1>>[Br:17][c:18]1[c:19]2[c:23]([cH:24][cH:25][cH:26]1)[N:22]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[C:21](=[O:33])[C:20]2([OH:34])[c:49]1[c:48]([OH:53])[cH:47][c:46]([F:45])[c:51]([F:52])[cH:50]1

Participants

5

Reactant 4

HCID 68289SesamolHCID 759273,4-DifluorophenolHCID 28492473ethyl (4-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetateHCID 655965701-(2-cyclopropylethyl)-1H-indole-2,3-dione

Product 1

HCID 58872544ethyl [4-bromo-3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

Sources & evidence

ORD record
ord-f78e7d2caeec4f4e88cb2fafe8e475c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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