Citric Acid → (4-{8-[4-(4-Isopropylpiperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}pyridin-2-yl)methanol
Reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:56][OH:57].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[c:18]4[n:19]([c:20](-[c:23]5[cH:24][c:25]([CH2:29][O:30][C:31](=[O:32])[CH3:33])[n:26][cH:27][cH:28]5)[cH:21][n:22]3)[n:34][cH:35][n:36]4)[cH:14][cH:15]2)[CH2:8][CH2:9]1.[K+:41].[K+:42].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[c:18]4[n:19]([c:20](-[c:23]5[cH:24][c:25]([CH2:29][OH:30])[n:26][cH:27][cH:28]5)[cH:21][n:22]3)[n:34][cH:35][n:36]4)[cH:14][cH:15]2)[CH2:8][CH2:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-91c91cfcb1bd40fb88fd2fa810479085
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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