Sodium ion → 3-[8-cyano-6-(4-ethylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]-4-methylbenzoic acid
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:25]2[CH2:26][CH2:27][N:28]([CH2:31][CH3:32])[CH2:29][CH2:30]2)[cH:6][c:7]2[c:8](=[O:24])[n:9](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][c:22]3[CH3:23])[cH:10][n:11][c:12]12.[Na+:34].[OH-:33]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:25]2[CH2:26][CH2:27][N:28]([CH2:31][CH3:32])[CH2:29][CH2:30]2)[cH:6][c:7]2[c:8](=[O:24])[n:9](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:20][cH:21][c:22]3[CH3:23])[cH:10][n:11][c:12]12Participants
4
Sources & evidence
- ORD record
- ord-1d631b1b3d9d4a1ab696ab1627e4ccb3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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