Sodium ion → Ethyl 5,7-dimethyl-2,4-dioxo-1-[2-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate
Reaction equation
[C:32]([CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[N:42]1[CH2:43][CH2:44][N:45]([CH2:48][CH2:49][Cl:50])[CH2:46][CH2:47]1.[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH3:31])[c:10]2[c:11](=[O:30])[n:12](-[c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[c:13](=[O:19])[nH:14][c:15]2[cH:16][c:17]1[CH3:18].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[H-:1].[Na+:2]>>[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH3:31])[c:10]2[c:11](=[O:30])[n:12](-[c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[c:13](=[O:19])[n:14]([CH2:49][CH2:48][N:45]3[CH2:44][CH2:43][N:42]([C:32]([CH:33]=[CH:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)=[O:41])[CH2:47][CH2:46]3)[c:15]2[cH:16][c:17]1[CH3:18]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-e9d4d82773a04848ac9565205a94e875
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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