Dimethylformamide → N-[3-(3-Butyl-7-dimethylamino-3-ethyl-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-benzo[b]thiepin-5-yl)-phenyl]-5-{4-[3-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzylamino}pentanamide
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:36][CH3:37])[CH:6]([OH:35])[CH:7]([c:21]2[cH:22][c:23]([NH:27][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][Br:33])=[O:34])[cH:24][cH:25][cH:26]2)[c:8]2[c:9]([cH:14][cH:15][c:16]([N:18]([CH3:19])[CH3:20])[cH:17]2)[S:10](=[O:12])(=[O:13])[CH2:11]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[NH2:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([N:46]2[C:47](=[O:68])[CH:48]([CH2:58][CH2:59][CH:60]([c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[OH:67])[CH:49]2[c:50]2[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]2)[cH:44][cH:45]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:36][CH3:37])[CH:6]([OH:35])[CH:7]([c:21]2[cH:22][c:23]([NH:27][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][NH:38][CH2:39][c:40]3[cH:41][cH:42][c:43]([N:46]4[C:47](=[O:68])[CH:48]([CH2:58][CH2:59][CH:60]([c:61]5[cH:62][cH:63][cH:64][cH:65][cH:66]5)[OH:67])[CH:49]4[c:50]4[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]4)[cH:44][cH:45]3)=[O:34])[cH:24][cH:25][cH:26]2)[c:8]2[c:9]([cH:14][cH:15][c:16]([N:18]([CH3:19])[CH3:20])[cH:17]2)[S:10](=[O:12])(=[O:13])[CH2:11]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-1dbd936fd3224d51940b4a99a9796c62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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