Toluene → 4-(3-{2-[Tert-butoxycarbonyl-(3,4-difluoro-phenyl)-amino]-thioacetylamino}-4-methyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][c:17]([NH:22][C:23]([CH2:24][N:25]([c:26]3[cH:27][c:28]([F:33])[c:29]([F:32])[cH:30][cH:31]3)[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[c:18]([CH3:21])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH3:42][O:43][c:44]1[cH:45][cH:46][c:47]([P:48]2(=[S:51])[S:49][P:50]([c:52]3[cH:53][cH:54][c:55]([O:56][CH3:57])[cH:58][cH:59]3)(=[S:60])[S:61]2)[cH:62][cH:63]1.[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][c:17]([NH:22][C:23]([CH2:24][N:25]([c:26]3[cH:27][c:28]([F:33])[c:29]([F:32])[cH:30][cH:31]3)[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[S:51])[c:18]([CH3:21])[cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-52a392e55b7840f98008c366d3c6e611
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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