Bicarbonate Ion → Ethyl 6-[4-({[3-{[(2,6-dichlorophenyl)sulfinyl]methyl}-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylate
Reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[Cl:1][c:2]1[c:3]([S:9][CH2:10][c:11]2[n:12][o:13][c:14]([CH:39]([CH3:40])[CH3:41])[c:15]2[CH2:16][O:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]4[cH:27][cH:28][c:29]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[n:30][c:31]4[cH:32][cH:33]3)[cH:22][cH:23]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[Cl:58][CH2:59][Cl:60].[Na+:57].[OH:42][O:43][C:44]([c:45]1[cH:46][c:47]([Cl:48])[cH:49][cH:50][cH:51]1)=[O:52]>>[Cl:1][c:2]1[c:3]([S:9]([CH2:10][c:11]2[n:12][o:13][c:14]([CH:39]([CH3:40])[CH3:41])[c:15]2[CH2:16][O:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]4[cH:27][cH:28][c:29]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[n:30][c:31]4[cH:32][cH:33]3)[cH:22][cH:23]2)=[O:42])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-711ac14000e84c7c8be507df6ef00399
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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