Acetic Acid → 6-iodo-4-[[4-(4-propan-2-ylpiperazin-1-yl)anilino]methylidene]isoquinoline-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:50](=[O:51])([OH:52])[O-:53].[CH2:62]([Cl:63])[Cl:64].[CH3:42][C:43]([CH3:44])=[O:45].[CH3:46][C:47](=[O:48])[OH:49].[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[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+:54]>>[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]([CH:43]([CH3:42])[CH3:44])[CH2:26][CH2:27]2)[cH:20][cH:21]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-41d4b3c8ec4540559453f745f8714fec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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