Methyl 3-Hydroxyphenylacetate → HCID 69666999, compound
Reaction equation
[Br:77][C:78]([CH3:79])([CH3:80])[C:81]([O:82][C:83]([CH3:84])([CH3:85])[CH3:86])=[O:87].[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49]([C:50]([CH3:51])([CH3:52])[O:53][c:54]1[cH:55][c:56]([CH2:60][C:61](=[O:62])[OH:63])[cH:57][cH:58][cH:59]1)=[O:64].[CH3:65][O:66][C:67](=[O:68])[CH2:69][c:70]1[cH:71][cH:72][cH:73][c:74]([OH:75])[cH:76]1.[CH:1]1([c:4]2[n:5][c:6](-[c:11]3[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]3)[n:7][cH:8][c:9]2[NH2:10])[CH2:2][CH2:3]1.[F:21][C:22]([F:23])([F:24])[c:25]1[c:26]([C:27]([OH:28])=[O:29])[cH:30][n:31][c:32](-[c:33]2[cH:34][cH:35][c:36]([C:37]([F:38])([F:39])[F:40])[cH:41][cH:42]2)[n:43]1>>[CH:1]1([c:4]2[n:5][c:6](-[c:11]3[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]3)[n:7][cH:8][c:9]2[NH:10][C:61]([CH2:60][c:56]2[cH:55][c:54]([O:53][C:50]([C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:64])([CH3:51])[CH3:52])[cH:59][cH:58][cH:57]2)=[O:62])[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-2caf255ffe2f42c18f5774e916eb73e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…