Acetonitrile → 5-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile
Reaction equation
[CH3:1][C:2]1([CH3:20])[O:3][C:4](=[O:19])[NH:5][c:6]2[c:7]1[cH:8][c:9](-[c:12]1[cH:13][cH:14][c:15]([C:17]#[N:18])[nH:16]1)[cH:10][cH:11]2.[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([P:27]2(=[S:30])[S:28][P:29]([c:31]3[cH:32][cH:33][c:34]([O:35][CH3:36])[cH:37][cH:38]3)(=[S:39])[S:40]2)[cH:41][cH:42]1.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:49][C:50]#[N:51]>>[CH3:1][C:2]1([CH3:20])[O:3][C:4](=[S:30])[NH:5][c:6]2[c:7]1[cH:8][c:9](-[c:12]1[cH:13][cH:14][c:15]([C:17]#[N:18])[nH:16]1)[cH:10][cH:11]2Participants
5
Sources & evidence
- ORD record
- ord-daf2c4673e1f4b0fa0f561762e79c4e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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