Hydrochloric Acid → 7-(4-((4-Chlorophenethyl)carbamoyl)phenoxy)-6-cyano-2,2-dimethylchroman-4-carboxylic acid
Reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:41][OH:42].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([C:32]#[N:33])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][C:22]([CH3:26])([CH3:27])[CH2:21][CH:20]4[C:28](=[O:29])[O:30][CH3:31])[cH:34][cH:35]2)[cH:36][cH:37]1.[ClH:54].[Na+:39].[OH-:38].[OH2:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([C:32]#[N:33])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][C:22]([CH3:26])([CH3:27])[CH2:21][CH:20]4[C:28](=[O:29])[OH:30])[cH:34][cH:35]2)[cH:36][cH:37]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d3accec9aeaf4e04babcd807e5a980b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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