Potassium Cation → (+/-)-2-{4-[3-(Benzhydrylidene-amino)-4-cyano-benzyl]-3-methoxycarbonyl-5-oxo-piperazin-1-ylmethyl}-5-chloro-indole-1-carboxylic acid tert-butyl ester
Reaction equation
[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[n:48]1[c:49]([CH2:58][Br:59])[cH:50][c:51]2[cH:52][c:53]([Cl:57])[cH:54][cH:55][c:56]12.[CH2:64]([O:65][CH2:66][CH3:67])[CH3:68].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([CH2:12][c:13]2[cH:14][c:15]([N:21]=[C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:16]([C:19]#[N:20])[cH:17][cH:18]2)[C:7](=[O:11])[CH2:8][NH:9][CH2:10]1.[CH3:60][C:61]#[N:62].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[OH2:63]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([CH2:12][c:13]2[cH:14][c:15]([N:21]=[C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:16]([C:19]#[N:20])[cH:17][cH:18]2)[C:7](=[O:11])[CH2:8][N:9]([CH2:58][c:49]2[n:48]([C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:47])[c:56]3[c:51]([cH:50]2)[cH:52][c:53]([Cl:57])[cH:54][cH:55]3)[CH2:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-13f203a858514594bbf4f722d434885e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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