Sodium ion → 1,3-Dioxo-6-(decylthio)-1H-benz[de]isoquinoline-2(3H)-acetic acid
Reaction equation
[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[SH:31].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:14]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[C:8](=[O:15])[N:7]([CH2:16][C:17](=[O:18])[OH:19])[C:6]2=[O:20].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37]>>[c:2]1([S:31][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[cH:3][cH:4][c:5]2[c:14]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[C:8](=[O:15])[N:7]([CH2:16][C:17](=[O:18])[OH:19])[C:6]2=[O:20]Participants
6
Sources & evidence
- ORD record
- ord-957af0faed5840f89593546f25b04e25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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