Citric Acid → 4-[(4-methylpiperazin-1-yl)methyl]-N-{5-methyl-4-[(4-(pyrid-3-yl)pyrimid-2-yl)amino]pyrid-2-yl}-3-(trifluoromethyl)benzamide
Reaction equation
[CH3:61][OH:62].[CH:63]([Cl:64])([Cl:65])[Cl:66].[H-:46].[NH2:1][c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][c:13]([C:25]([F:26])([F:27])[F:28])[c:14]([CH2:17][N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:15][cH:16]2)=[O:29])[n:5][cH:6][c:7]1[CH3:8].[Na+:47].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60].[S:30]([CH3:31])(=[O:32])(=[O:33])[c:34]1[n:35][cH:36][cH:37][c:38](-[c:40]2[cH:41][n:42][cH:43][cH:44][cH:45]2)[n:39]1>>[NH:1]([c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][c:13]([C:25]([F:26])([F:27])[F:28])[c:14]([CH2:17][N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:15][cH:16]2)=[O:29])[n:5][cH:6][c:7]1[CH3:8])[c:34]1[n:35][cH:36][cH:37][c:38](-[c:40]2[cH:41][n:42][cH:43][cH:44][cH:45]2)[n:39]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-212ddc41e8db43f39fb3c3c45ca75f30
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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