Sodium ion → 4-methyl-3-[6-(4-ethylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzoic acid
Reaction equation
[CH3:1][c:2]1[c:3](-[n:12]2[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([N:23]4[CH2:24][CH2:25][N:26]([CH2:29][CH3:30])[CH2:27][CH2:28]4)[cH:19][c:20]3[c:21]2=[O:22])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[Na+:32].[OH-:31]>>[CH3:1][c:2]1[c:3](-[n:12]2[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([N:23]4[CH2:24][CH2:25][N:26]([CH2:29][CH3:30])[CH2:27][CH2:28]4)[cH:19][c:20]3[c:21]2=[O:22])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-c389d18cf96d4a2885471b7cbb173339
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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