Dimethylformamide → Methyl 2-{[(4-{3-[(2,4-difluorobenzyl)(heptyl)amino]-3-oxopropyl}phenyl)thio]methyl}benzoate
Reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[CH3:18][O:19][C:20](=[O:21])[c:22]1[c:23]([CH2:24][S:25][c:26]2[cH:27][cH:28][c:29]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[cH:30][cH:31]2)[cH:37][cH:38][cH:39][cH:40]1.[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[CH:63]([N:64]([CH:65]([CH3:66])[CH3:67])[CH2:68][CH3:69])([CH3:70])[CH3:71].[F:1][c:2]1[c:3]([CH2:4][NH:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[cH:13][cH:14][c:15]([F:17])[cH:16]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[C:34]([CH2:33][CH2:32][c:29]2[cH:28][cH:27][c:26]([S:25][CH2:24][c:23]3[c:22]([C:20]([O:19][CH3:18])=[O:21])[cH:40][cH:39][cH:38][cH:37]3)[cH:31][cH:30]2)=[O:36])[cH:13][cH:14][c:15]([F:17])[cH:16]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-d7bb2c869da547f2badac4f6f45df7a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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