Sodium ion → 3-[(2-methyl-1-benzofuran-5-yl)amino]-3-[[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino]-2-thiophen-3-ylsulfonylprop-2-enenitrile
Reaction equation
[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[H-:13].[N:14](=[C:15]=[S:16])[c:17]1[cH:18][cH:19][c:20]2[c:21]([cH:22][c:23]([CH3:25])[o:24]2)[cH:26]1.[NH2:27][CH:28]1[C:29](=[O:43])[N:30]([CH2:35][C:36](=[O:37])[N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:31][CH2:32][CH2:33][CH2:34]1.[Na+:12].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:58].[s:1]1[cH:2][c:3]([S:6](=[O:7])(=[O:8])[CH2:9][C:10]#[N:11])[cH:4][cH:5]1>>[s:1]1[cH:2][c:3]([S:6](=[O:7])(=[O:8])[C:9]([C:10]#[N:11])=[C:15]([NH:14][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:22][c:23]([CH3:25])[o:24]3)[cH:26]2)[NH:27][CH:28]2[C:29](=[O:43])[N:30]([CH2:35][C:36](=[O:37])[N:38]3[CH2:39][CH2:40][CH2:41][CH2:42]3)[CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:4][cH:5]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-41dc76f2749d454cad52b686e2934e1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…