Acetic Acid → 6-iodo-4-[[4-[4-(1-methoxypropan-2-yl)piperazin-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:52](=[O:53])([OH:54])[O-:55].[CH2:64]([Cl:65])[Cl:66].[CH3:42][O:43][CH2:44][C:45]([CH3:46])=[O:47].[CH3:48][C:49](=[O:50])[OH:51].[CH3:57][N:58]1[CH2:59][CH2:60][CH2:61][C:62]1=[O:63].[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+:56]>>[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:45]([CH2:44][O:43][CH3:42])[CH3:46])[CH2:26][CH2:27]2)[cH:20][cH:21]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e2a2cfaded6d4d22937de3275ae87572
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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