Acetic Acid → 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-{5-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl}nicotinonitrile
Reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:32][N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:39][C:40](=[O:41])[OH:42].[CH3:62][CH2:63][OH:64].[Cl:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[c:14](-[c:21]3[o:22][c:23]4[c:24]([cH:25]3)[cH:26][c:27]([CH:30]=[O:31])[cH:28][cH:29]4)[cH:15][n:16][cH:17][c:18]2[C:19]#[N:20])[c:5]([CH3:11])[c:6]2[cH:7][cH:8][nH:9][c:10]12.[Na+:56]>>[Cl:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[c:14](-[c:21]3[o:22][c:23]4[c:24]([cH:25]3)[cH:26][c:27]([CH2:30][N:36]3[CH2:35][CH2:34][N:33]([CH3:32])[CH2:38][CH2:37]3)[cH:28][cH:29]4)[cH:15][n:16][cH:17][c:18]2[C:19]#[N:20])[c:5]([CH3:11])[c:6]2[cH:7][cH:8][nH:9][c:10]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-90c9dda9730b41f195f7c623e07705bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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