2-Ethoxybenzoic acid → HCID 68683899, compound
Reaction equation
[CH2:17]([O:18][c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[C:25]([OH:26])=[O:27])[CH3:28].[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]([Cl:7])=[O:8])[cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]1.[Cl:29][c:30]1[cH:31][cH:32][c:33]([C:36]2([CH3:62])[N:37]=[C:38]([c:49]3[cH:50][cH:51][c:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57][c:58]3[O:59][CH2:60][CH3:61])[NH:39][C:40]2([CH3:41])[c:42]2[cH:43][cH:44][c:45]([Cl:48])[cH:46][cH:47]2)[cH:34][cH:35]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]2=[N:37][C:36]([c:33]3[cH:32][cH:31][c:30]([Cl:29])[cH:35][cH:34]3)([CH3:62])[C:40]([CH3:41])([c:42]3[cH:43][cH:44][c:45]([Cl:48])[cH:46][cH:47]3)[NH:39]2)[cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]1Participants
4
Sources & evidence
- ORD record
- ord-00ea5c8dadab4a4ebc1e7b4a02f11cdc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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