1,2-Dichloroethane → Methyl 2-[[2-[[3-methyl-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate
Reaction equation
[CH2:26]([Cl:27])[CH2:28][Cl:29].[CH3:31][O:32][C:33]([CH:34]([NH:35][C:36]([CH2:37][N:38]([CH2:39][c:40]1[cH:41][cH:42][cH:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]12)[CH2:50][CH:51]([CH:52]([CH2:53][CH3:54])[CH3:55])[NH2:56])=[O:57])[CH2:58][CH2:59][S:60][CH3:61])=[O:62].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[ClH:30].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][S:9][CH2:10][C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:16][n:17]1[c:18]2[c:19]([cH:20][cH:21][cH:22][cH:23]2)[n:24][n:25]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][S:9][CH2:10][C:11](=[O:13])[NH:56][CH:51]([CH2:50][N:38]([CH2:37][C:36]([NH:35][CH:34]([C:33]([O:32][CH3:31])=[O:62])[CH2:58][CH2:59][S:60][CH3:61])=[O:57])[CH2:39][c:40]2[cH:41][cH:42][cH:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]23)[CH:52]([CH2:53][CH3:54])[CH3:55])[cH:14][cH:15]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-8aca689840cc4f0eba366e23fc2f6111
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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