Sodium ion → 5-(4,4-diethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile
Reaction equation
[CH2:1]([CH3:2])[C:3]1([CH2:22][CH3:23])[O:4][C:5](=[O:21])[NH:6][c:7]2[c:8]1[cH:9][c:10](-[c:13]1[cH:14][cH:15][c:16]([C:19]#[N:20])[n:17]1[CH3:18])[cH:11][cH:12]2.[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([P:30]2(=[S:33])[S:31][P:32]([c:34]3[cH:35][cH:36][c:37]([O:38][CH3:39])[cH:40][cH:41]3)(=[S:42])[S:43]2)[cH:44][cH:45]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51]>>[CH2:1]([CH3:2])[C:3]1([CH2:22][CH3:23])[O:4][C:5](=[S:33])[NH:6][c:7]2[c:8]1[cH:9][c:10](-[c:13]1[cH:14][cH:15][c:16]([C:19]#[N:20])[n:17]1[CH3:18])[cH:11][cH:12]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-852829c53fc44552aa70ceb72ae9a3cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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