Sodium ion → 4-(4-(4-(4-(3-Benzisothiazolyl)piperazinyl)butyl)phenyl)-2-aminothiazole
Reaction equation
[CH3:50][C:51]([CH2:52][CH:53]([CH3:54])[CH3:55])=[O:56].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]([NH2:17])[s:15][cH:16]2)[cH:10][cH:11]1.[I-:49].[N:18]1([c:24]2[n:25][s:26][c:27]3[c:28]2[cH:29][cH:30][cH:31][cH:32]3)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[Na+:42].[Na+:43].[Na+:48].[O-:44][C:45](=[O:46])[O-:47]>>[CH2:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]([NH2:17])[s:15][cH:16]2)[cH:10][cH:11]1)[N:21]1[CH2:20][CH2:19][N:18]([c:24]2[n:25][s:26][c:27]3[c:28]2[cH:29][cH:30][cH:31][cH:32]3)[CH2:23][CH2:22]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-77aa158148ea4c319103010a7fa4acbf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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