Bicarbonate Ion → 2-(4-Isopropyl-4H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-8-carboxylic acid isoxazol-3-ylamide
Reaction equation
[C:45](=[O:46])([OH:47])[O-:48].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](-[c:9]2[s:10][c:11]3[c:17]([n:18]2)-[c:16]2[c:15]([cH:22][c:21]([C:23](=[O:24])[OH:25])[cH:20][cH:19]2)[O:14][CH2:13][CH2:12]3)[n:6][n:7][cH:8]1.[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[Cl:50][CH2:51][Cl:52].[NH2:32][c:33]1[n:34][o:35][cH:36][cH:37]1.[Na+:49].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](-[c:9]2[s:10][c:11]3[c:17]([n:18]2)-[c:16]2[c:15]([cH:22][c:21]([C:23](=[O:24])[NH:32][c:33]4[n:34][o:35][cH:36][cH:37]4)[cH:20][cH:19]2)[O:14][CH2:13][CH2:12]3)[n:6][n:7][cH:8]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-0590297400a34a3d95be0293f18b7bf5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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