Acetonitrile → 6-(Ethoxycarbonyl)-4-(4-(methylsulfonyl)phenoxy)benzofuran-2-carboxylic acid
Reaction equation
[CH3:33][C:34]#[N:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH:6](=[O:7])[c:8]1[o:9][c:10]2[c:11]([cH:12]1)[c:13]([O:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1)[cH:14][c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:16]2.[I+3:1]([O-:2])([OH:3])([O-:4])[O-:5]>>[OH:2][C:6](=[O:7])[c:8]1[o:9][c:10]2[c:11]([cH:12]1)[c:13]([O:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1)[cH:14][c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:16]2Participants
5
Sources & evidence
- ORD record
- ord-39cd8d19b9cd4e3d80b6cb0bbe57e967
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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