Bicarbonate Ion → 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethanesulfonic acid (5-chloro-2-{2-[4-(4-fluoro-benzyl)-2-methyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-amide
Reaction equation
[C:52](=[O:53])([O-:54])[OH:55].[CH2:57]([Cl:58])[Cl:59].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[NH2:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]2[CH:9]([CH3:22])[CH2:10][N:11]([CH2:14][c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:23][cH:24][c:25]([Cl:27])[cH:26]1.[Na+:56].[O:35]=[C:36]1[N:37]([CH2:46][CH2:47][S:48](=[O:49])(=[O:50])[Cl:51])[C:38](=[O:45])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]21>>[NH:1]([c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]2[CH:9]([CH3:22])[CH2:10][N:11]([CH2:14][c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:23][cH:24][c:25]([Cl:27])[cH:26]1)[S:48]([CH2:47][CH2:46][N:37]1[C:36](=[O:35])[c:44]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[C:38]1=[O:45])(=[O:49])=[O:50]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-94ed40a40c864930bd5a737573acf94e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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