Isopropanol → 3-(3-Chloro-2-cyanophenyl)prop-2-enoic acid
Reaction equation
[Br:1][c:2]1[c:3]([C:13]#[N:14])[c:4]([CH:8]=[CH:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7]1.[C:15]([c:16]1[c:17]([O:18][CH3:19])[cH:20][cH:21][cH:22][c:23]1[CH:24]=[CH:25][C:26]([OH:27])=[O:28])#[N:29].[C:30]([c:31]1[cH:32][cH:33][c:34]([CH:35]=[CH:36][C:37]([OH:38])=[O:39])[cH:40][cH:41]1)#[N:42].[C:57]([c:58]1[cH:59][c:60]([F:61])[cH:62][cH:63][c:64]1[CH:65]=[CH:66][C:67]([OH:68])=[O:69])#[N:70].[CH2:71]1[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[CH:77]([OH:78])([CH3:79])[CH3:80].[Cl:43][c:44]1[cH:45][cH:46][c:47]([C:48]#[N:49])[c:50]([CH:51]=[CH:52][C:53]([OH:54])=[O:55])[cH:56]1>>[c:2]1([Cl:43])[c:3]([C:13]#[N:14])[c:4]([CH:8]=[CH:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1f1a1a4419dc4637b8bcb5d591334374
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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