Acetic Acid → 7-(4-(4-Chlorophenethylcarbamoyl)-2-methylphenoxy)-6-cyanochroman-4-carboxylic acid
Reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:39][C:40](=[O:41])[OH:42].[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][c:13]([CH3:34])[c:14]([O:15][c:16]3[c:17]([C:30]#[N:31])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][CH2:22][CH2:21][CH:20]4[C:26](=[O:27])[O:28][CH3:29])[cH:32][cH:33]2)[cH:35][cH:36]1.[Li+:38].[OH-:37]>>[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][c:13]([CH3:34])[c:14]([O:15][c:16]3[c:17]([C:30]#[N:31])[cH:18][c:19]4[c:24]([cH:25]3)[O:23][CH2:22][CH2:21][CH:20]4[C:26](=[O:27])[OH:28])[cH:32][cH:33]2)[cH:35][cH:36]1Participants
6
Sources & evidence
- ORD record
- ord-6b55dfeb1e064af1b24adb026fc5d9de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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