Ethanol → alpha-Cyano-m-phenoxybenzyl 2-(4,5,6,7-tetrachloro-2-isoindolinyl)-3-methylbutanoate
Reaction equation
[CH2:79]([OH:80])[CH3:81].[CH3:57][S:58]([O:59][CH:60]([C:61]#[N:62])[c:63]1[cH:64][cH:65][cH:66][c:67]([O:68][c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75]1)(=[O:76])=[O:77].[Cl:1][c:2]1[c:3]2[c:7]([c:8]([Cl:13])[c:9]([Cl:12])[c:10]1[Cl:11])[CH2:6][N:5]([CH:14]([C:15](=[O:16])[O:17][CH2:18][c:19]1[cH:20][c:21]([O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:22][cH:23][cH:24]1)[CH:32]([CH3:33])[CH3:34])[CH2:4]2.[Cl:35][c:36]1[c:37]([Cl:40])[c:41]([Cl:42])[c:43]([Cl:44])[c:45]2[c:46]1[CH2:38][N:39]([CH:47]([CH:48]([CH3:49])[CH3:50])[C:51]([OH:52])=[O:53])[CH2:54]2.[K+:56].[OH-:55].[OH2:78]>>[Cl:1][c:2]1[c:3]2[c:7]([c:8]([Cl:13])[c:9]([Cl:12])[c:10]1[Cl:11])[CH2:6][N:5]([CH:14]([C:15](=[O:16])[O:17][CH:18]([c:19]1[cH:20][c:21]([O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:22][cH:23][cH:24]1)[C:38]#[N:39])[CH:32]([CH3:33])[CH3:34])[CH2:4]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-2a7363d599ed4cd8baf4fb4b234b6d36
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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