Acetic Acid → 4-[[4-[4-(furan-2-ylmethyl)piperazin-1-yl]anilino]methylidene]-6-iodoisoquinoline-1,3-dione
Reaction equation
[C:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[C:53](=[O:54])([OH:55])[O-:56].[CH2:65]([Cl:66])[Cl:67].[CH3:49][C:50](=[O:51])[OH:52].[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[Na+:41].[Na+:57].[o:42]1[c:43]([CH:47]=[O:48])[cH:44][cH:45][cH:46]1>>[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][N:25]([CH2:47][c:43]3[o:42][cH:46][cH:45][cH:44]3)[CH2:26][CH2:27]2)[cH:20][cH:21]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-55512ac8beff4af1b2ac4d51fff400d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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