Sodium ion → [4-[3-[1-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-benzothiazol-6-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl] 4-nitrobenzoate
Reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[c:24]2[n:25][s:26][c:27]3[c:28]2[cH:29][cH:30][c:31]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:32]3)[cH:12][cH:13]1.[N+:42](=[O:43])([O-:44])[c:45]1[cH:46][cH:47][c:48]([C:49](=[O:50])[O:51][CH:52]2[CH2:53][CH:54]([CH3:62])[c:55]3[c:56]2[n:57][cH:58][n:59][c:60]3[Cl:61])[cH:63][cH:64]1.[Na+:5].[Na+:6].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[c:24]2[n:25][s:26][c:27]3[c:28]2[cH:29][cH:30][c:31](-[c:60]2[c:55]4[c:56]([n:57][cH:58][n:59]2)[CH:52]([O:51][C:49]([c:48]2[cH:47][cH:46][c:45]([N+:42](=[O:43])[O-:44])[cH:64][cH:63]2)=[O:50])[CH2:53][CH:54]4[CH3:62])[cH:32]3)[cH:12][cH:13]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-b4d8303447d64805ad6f62d2d8cad8b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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