Sodium ion → 2-{4-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-piperidin-1-yl}-isobutyramide
Reaction equation
[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([C:29]([C:30]#[N:31])([CH3:32])[CH3:33])[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[S:34]([OH:35])(=[O:36])(=[O:37])[OH:38]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([C:29]([C:30]([NH2:31])=[O:35])([CH3:32])[CH3:33])[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-dc3164de92114c908cb4dfbeb6f31d04
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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