Hydrochloric Acid → 7-(4-((4-Chlorophenethyl)carbamoyl)phenoxy)-6-cyano-4-methylchroman-4-carboxylic acid
Reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:40][OH:41].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[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:31]#[N:32])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][CH2:22][CH2:21][C:20]4([C:26](=[O:27])[O:28][CH3:29])[CH3:30])[cH:33][cH:34]2)[cH:35][cH:36]1.[ClH:53].[Na+:38].[OH-:37].[OH2:39]>>[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:31]#[N:32])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][CH2:22][CH2:21][C:20]4([C:26](=[O:27])[OH:28])[CH3:30])[cH:33][cH:34]2)[cH:35][cH:36]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-9867bfd3c6cc41f5bbec988674bd92a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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