Bicarbonate Ion → 9-[1-(2,4-Difluoro-benzyl)-azetidin-3-yl]-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene
Reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:51](=[O:52])([OH:53])[O-:54].[CH:56]([Cl:57])([Cl:58])[Cl:59].[F:27][c:28]1[c:29]([CH:30]=[O:31])[cH:32][cH:33][c:34]([F:36])[cH:35]1.[NH:1]1[CH2:2][CH:3]([c:5]2[cH:6][cH:7][c:8]3[c:9]([cH:26]2)-[c:10]2[n:11][c:12](-[c:18]4[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]4)[s:13][c:14]2[CH2:15][CH2:16][O:17]3)[CH2:4]1.[Na+:50].[Na+:55]>>[N:1]1([CH2:30][c:29]2[c:28]([F:27])[cH:35][c:34]([F:36])[cH:33][cH:32]2)[CH2:2][CH:3]([c:5]2[cH:6][cH:7][c:8]3[c:9]([cH:26]2)-[c:10]2[n:11][c:12](-[c:18]4[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]4)[s:13][c:14]2[CH2:15][CH2:16][O:17]3)[CH2:4]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-746693e10d6a4b6d8f2d795c51193ad0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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