Aniline → N-{3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4-methyl-3-[(1-methyl-1H-imidazol-5-yl)ethynyl]benzamide
Reaction equation
[CH2:55]([Cl:56])[Cl:57].[CH3:19][N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[CH3:1][c:2]1[c:3]([C:11]#[C:12][c:13]2[cH:14][n:15][cH:16][n:17]2[CH3:18])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[Cl:32][c:33]1[cH:34][c:35]([NH2:36])[cH:37][cH:38][c:39]1[CH2:40][N:41]1[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]1.[NH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][c:2]1[c:3]([C:11]#[C:12][c:13]2[cH:14][n:15][cH:16][n:17]2[CH3:18])[cH:4][c:5]([C:6](=[O:8])[NH:36][c:35]2[cH:34][c:33]([Cl:32])[c:39]([CH2:40][N:41]3[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]3)[cH:38][cH:37]2)[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-998df8a5adc64506a128ba593bfc6a72
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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