Acetic Acid → 4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpiperazin-1-yl)methyl)benzofuran-2-yl)nicotinonitrile
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:31][N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16]#[N:17])[c:18]3[NH:19][c:20]3[c:21]([CH3:29])[c:22]4[cH:23][cH:24][nH:25][c:26]4[cH:27][cH:28]3)[o:10]2)[cH:30]1.[Cl:56][CH2:57][Cl:58].[Na+:55]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16]#[N:17])[c:18]3[NH:19][c:20]3[c:21]([CH3:29])[c:22]4[cH:23][cH:24][nH:25][c:26]4[cH:27][cH:28]3)[o:10]2)[cH:30]1)[N:35]1[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-8060ffd992b744c6b4d7a703d2a16a82
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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