Aniline → N-(3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylbenzamide
Reaction equation
[CH2:58]([Cl:59])[Cl:60].[CH3:22][N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[CH3:61][N:62]([c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1)[CH3:69].[Cl:29][C:30]([C:31]([Cl:32])=[O:33])=[O:34].[NH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[n:1]1[cH:2][c:3]([C:10]#[C:11][c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][c:20]2[CH3:21])[n:4]2[c:5]1[cH:6][n:7][cH:8][cH:9]2.[n:35]1(-[c:40]2[cH:41][c:42]([NH2:43])[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]2)[cH:36][n:37][cH:38][cH:39]1>>[n:1]1[cH:2][c:3]([C:10]#[C:11][c:12]2[cH:13][c:14]([C:15](=[O:17])[NH:43][c:42]3[cH:41][c:40](-[n:35]4[cH:36][n:37][cH:38][cH:39]4)[cH:46][c:45]([C:47]([F:48])([F:49])[F:50])[cH:44]3)[cH:18][cH:19][c:20]2[CH3:21])[n:4]2[c:5]1[cH:6][n:7][cH:8][cH:9]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-bbc41b0cf8444b1980b4ee0fd54f15ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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